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

Systemtic Name: (E)-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-27-19-11-9-17(15-20(19)28-2)10-12-21(26)24-22(29)25(14-6-13-23)16-18-7-4-3-5-8-18/h3-5,7-12,15H,6,14,16H2,1-2H3,(H,24,26,29)/b12-10+