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

Systemtic Name: methyl 4,5-dimethyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[2-(phenylthio)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(phenylthio)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O2S3 MolecularWeight: 428.5907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2SC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2SC3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O2S3/c1-13-14(2)27-19(18(13)20(24)25-3)23-21(26)22-16-11-7-8-12-17(16)28-15-9-5-4-6-10-15/h4-12H,1-3H3,(H2,22,23,26)