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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(3-phenylpropanoylamino)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(hydrocinnamoylamino)thiocarbamoyl]acrylamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-27-17-11-8-16(14-18(17)28-2)10-12-19(25)22-21(29)24-23-20(26)13-9-15-6-4-3-5-7-15/h3-8,10-12,14H,9,13H2,1-2H3,(H,23,26)(H2,22,24,25,29)/b12-10+