-ISIS-  08091621332D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -1.0333   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333   -0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -1.6333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4833   -1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -2.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4833   -1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208    1.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208    1.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208    2.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2583    0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9833   -2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9833   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9708   -2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9708   -0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4708   -1.7583    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 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
  6  4  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <ID> (BBL000718)
BBL000718

>  <Rotatable_Bonds> (BBL000718)
1

>  <logP> (BBL000718)
3.036

>  <PSA> (BBL000718)
112.46

>  <H_Donors> (BBL000718)
4

>  <H_Acceptors> (BBL000718)
2

>  <Number_of_rings> (BBL000718)
2

>  <NAME> (BBL000718)
N-[3-(hydrazinylcarbonyl)-4,5-dimethylthiophen-2-yl]benzamide

>  <Mol_Weight> (BBL000718)
289.36

>  <Mol_Formula> (BBL000718)
C14H15N3O2S

>  <Smiles> (BBL000718)
NNC(=O)c1c(NC(=O)c2ccccc2)sc(c1C)C

>  <Alternative_identifier> (BBL000718)
MFCD00298465

$$$$