methyl 4,5-dimethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O3S3 MolecularWeight: 423.57264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CSC3=C2CCCC3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CSC3=C2CCCC3)C

InChI

InChI=1S/C18H21N3O3S3/c1-9-10(2)27-16(14(9)17(23)24-3)19-18(25)21-20-15(22)12-8-26-13-7-5-4-6-11(12)13/h8H,4-7H2,1-3H3,(H,20,22)(H2,19,21,25)