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

Systemtic Name: methyl 4-(2-chlorophenyl)-2-(propylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(2-chlorophenyl)-2-(propylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[propylamino(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-chlorophenyl)-2-(propylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-(propylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H17ClN2O2S2 MolecularWeight: 368.90138

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(C(=CS1)C2=CC=CC=C2Cl)C(=O)OC

Isomeric SMILES

CCCNC(=S)NC1=C(C(=CS1)C2=CC=CC=C2Cl)C(=O)OC

InChI

InChI=1S/C16H17ClN2O2S2/c1-3-8-18-16(22)19-14-13(15(20)21-2)11(9-23-14)10-6-4-5-7-12(10)17/h4-7,9H,3,8H2,1-2H3,(H2,18,19,22)