3-(2-chlorophenyl)-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]propanamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(2-chlorophenyl)propanamide CAS Name: 3-(2-chlorophenyl)-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(2-chlorophenyl)propanamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-(2-chlorophenyl)propionamide Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C20H20ClN3OS/c21-18-10-5-4-9-17(18)11-12-19(25)23-20(26)24(14-6-13-22)15-16-7-2-1-3-8-16/h1-5,7-10H,6,11-12,14-15H2,(H,23,25,26)