methyl 4,5-dimethyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[2-(methylthio)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(2-methylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(methylthio)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H18N2O2S3 MolecularWeight: 366.52132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2SC)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2SC)C

InChI

InChI=1S/C16H18N2O2S3/c1-9-10(2)23-14(13(9)15(19)20-3)18-16(21)17-11-7-5-6-8-12(11)22-4/h5-8H,1-4H3,(H2,17,18,21)