methyl 4,5-dimethyl-2-(2-phenylsulfanylethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(2-phenylsulfanylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-(2-phenylsulfanylethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[2-(phenylthio)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(2-phenylsulfanylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[2-(phenylthio)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S3 MolecularWeight: 380.5479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCSC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCSC2=CC=CC=C2)C

InChI

InChI=1S/C17H20N2O2S3/c1-11-12(2)24-15(14(11)16(20)21-3)19-17(22)18-9-10-23-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H2,18,19,22)