
 OpenBabel04291915403D

 59 63  0  0  0  0  0  0  0  0999 V2000
    9.8620   11.3306    3.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1624   10.6756    3.2974 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9495    9.2857    2.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2941    8.6084    2.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0865    7.2521    2.2414 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7534    6.7457    2.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9192   10.6894    4.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1820    6.4246    1.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9876    5.1548    1.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0411    4.3591    1.3488 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2891    4.8332    1.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4835    6.1029    1.8862 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4300    6.8987    2.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8389    3.0387    0.9416 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9345    2.2112    0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7465    0.9832    0.3075 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7307    0.2398    0.0781 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5426   -0.9882   -0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5962   -1.7839   -0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4017   -3.0537   -0.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4553   -3.8494   -1.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9376    0.6983    0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1414    2.6697    0.8273 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2462   -5.2148   -1.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2997   -6.0105   -1.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1053   -7.2802   -2.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1588   -8.0760   -2.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4068   -7.6019   -2.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9982   -5.6888   -1.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9023   -9.7515   -3.0038 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.1171  -10.5001   -1.9306 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1165   -9.7658   -4.3120 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5034  -10.5579   -3.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3111   11.3205    2.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0169   12.3423    3.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3114   10.8056    4.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3986    9.2756    1.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3990    8.7607    3.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8451    8.6185    3.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8447    9.1334    1.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4435    5.8546    2.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1011    6.4929    1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4362   10.9180    5.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8121   11.1455    4.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0286    4.7905    1.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0987    4.2217    1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4425    6.4672    1.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5794    7.8744    2.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9240    2.6911    0.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5836   -1.3525   -0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5552   -1.4196   -0.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4427   -3.4180   -1.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2588   -5.6462   -1.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1463   -7.6445   -2.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4385   -7.6255   -2.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9665   -5.6652   -1.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0540  -10.0330   -4.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3485  -11.5696   -3.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0543  -10.5479   -2.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
  7 43  1  0  0  0  0
  7 44  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 45  1  0  0  0  0
 10 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  2  0  0  0  0
 12 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 50  1  0  0  0  0
 19 20  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  2  0  0  0  0
 20 52  1  0  0  0  0
 21 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 53  1  0  0  0  0
 26 27  2  0  0  0  0
 26 54  1  0  0  0  0
 27 30  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 33  1  0  0  0  0
 30 32  2  0  0  0  0
 30 31  2  0  0  0  0
 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
M  END
>  <SKU>
A12808

>  <Product Name>
CEP33779

>  <CAS>
1257704-57-6

>  <M.Wt>
462.56724

>  <Formula>
C24H26N6O2S

>  <Synonyms>
CEP 33779, CEP-33779

>  <URL>
https://www.adooq.com/cep33779.html

$$$$
