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

Systemtic Name: (E)-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C21H21N3O2S/c1-26-19-11-8-17(9-12-19)10-13-20(25)23-21(27)24(15-5-14-22)16-18-6-3-2-4-7-18/h2-4,6-13H,5,15-16H2,1H3,(H,23,25,27)/b13-10+