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

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-methoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[(hydrocinnamoylamino)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-26-17-11-7-16(8-12-17)9-13-18(24)21-20(27)23-22-19(25)14-10-15-5-3-2-4-6-15/h2-9,11-13H,10,14H2,1H3,(H,22,25)(H2,21,23,24,27)/b13-9+