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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2,2-diphenylethanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]acrylamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C26H25N3O4S/c1-32-21-15-13-18(17-22(21)33-2)14-16-23(30)27-26(34)29-28-25(31)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,24H,1-2H3,(H,28,31)(H2,27,29,30,34)/b16-14+