15145690
  CDK     0602212312

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.9868    1.4813    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6286    1.9253    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1159   -2.5393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5650    0.9710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597   -1.7551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9232    0.5270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597   -0.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3412   -1.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1159    0.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9232   -2.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1795    1.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2432    2.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8848    2.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  2 17  1  0  0  0  0 
  2 19  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3 16  1  0  0  0  0 
  4 15  2  0  0  0  0 
  5  8  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6 15  1  0  0  0  0 
  6 17  2  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 11  2  0  0  0  0 
  8 12  2  0  0  0  0 
  9 10  2  0  0  0  0 
  9 15  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 14  2  0  0  0  0 
M  END
> <ID>
CHEBI:174782

> <NAME>
Methoxybrassenin B

> <STAR>
2

> <IUPAC_NAME>
N-[bis(methylsulanyl)methylidene]-1-methoxyindole-3-carboxamide

> <FORMULA>
C13H14N2O2S2

> <MASS>
294.390

> <MONOISOTOPIC_MASS>
294.04967

> <CHARGE>
0

> <SMILES>
S(C(SC)=NC(=O)C=1C=2C(N(OC)C1)=CC=CC2)C

> <INCHI>
InChI=1S/C13H14N2O2S2/c1-17-15-8-10(9-6-4-5-7-11(9)15)12(16)14-13(18-2)19-3/h4-8H,1-3H3

> <INCHIKEY>
NFGCTENDKLNJTI-UHFFFAOYSA-N

$$$$