-ISIS-  08091621332D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3792   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -2.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792   -1.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1583   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  1  0  0  0  0
 15  6  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
  6  4  2  0  0  0  0
 19 18  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <ID> (BBL000807)
BBL000807

>  <Rotatable_Bonds> (BBL000807)
1

>  <logP> (BBL000807)
3.802

>  <PSA> (BBL000807)
112.46

>  <H_Donors> (BBL000807)
4

>  <H_Acceptors> (BBL000807)
2

>  <Number_of_rings> (BBL000807)
3

>  <NAME> (BBL000807)
N-[3-(hydrazinylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

>  <Mol_Weight> (BBL000807)
315.40

>  <Mol_Formula> (BBL000807)
C16H17N3O2S

>  <Smiles> (BBL000807)
NNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2

>  <Alternative_identifier> (BBL000807)
MFCD00406496

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