(E)-3-(2-methoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-methoxyphenyl)-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(hydrocinnamoylamino)thiocarbamoyl]-3-(2-methoxyphenyl)acrylamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NC(=S)NNC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O3S/c1-26-17-10-6-5-9-16(17)12-14-18(24)21-20(27)23-22-19(25)13-11-15-7-3-2-4-8-15/h2-10,12,14H,11,13H2,1H3,(H,22,25)(H2,21,23,24,27)/b14-12+