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

Systemtic Name: (E)-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C22H23N3O2S/c1-2-27-20-12-9-18(10-13-20)11-14-21(26)24-22(28)25(16-6-15-23)17-19-7-4-3-5-8-19/h3-5,7-14H,2,6,16-17H2,1H3,(H,24,26,28)/b14-11+