ethyl 4-(2-chlorophenyl)-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[(phenethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-(phenethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-(phenethylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O2S2 MolecularWeight: 444.99734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O2S2/c1-2-27-21(26)19-17(16-10-6-7-11-18(16)23)14-29-20(19)25-22(28)24-13-12-15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H2,24,25,28)