methyl 4-(2-chlorophenyl)-2-(3-methylsulfanylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(2-chlorophenyl)-2-(3-methylsulfanylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(2-chlorophenyl)-2-(3-methylsulfanylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[[3-(methylthio)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-chlorophenyl)-2-(3-methylsulfanylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[3-(methylthio)propylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H19ClN2O2S3 MolecularWeight: 414.99296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=S)NCCCSC

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=S)NCCCSC

InChI

InChI=1S/C17H19ClN2O2S3/c1-22-16(21)14-12(11-6-3-4-7-13(11)18)10-25-15(14)20-17(23)19-8-5-9-24-2/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,19,20,23)