(E)-3-(4-chlorophenyl)-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Traditional Name: (E)-N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-(4-chlorophenyl)acrylamide Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H18ClN3OS/c21-18-10-7-16(8-11-18)9-12-19(25)23-20(26)24(14-4-13-22)15-17-5-2-1-3-6-17/h1-3,5-12H,4,14-15H2,(H,23,25,26)/b12-9+