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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2-phenylethanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2-phenylacetyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2-phenylacetyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2-phenylacetyl)amino]thiocarbamoyl]acrylamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NNC(=O)CC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2)OC

InChI

InChI=1S/C20H21N3O4S/c1-26-16-10-8-15(12-17(16)27-2)9-11-18(24)21-20(28)23-22-19(25)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,22,25)(H2,21,23,24,28)/b11-9+