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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]acrylamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4S/c1-31-21-14-8-17(16-22(21)32-2)9-15-23(29)26-25(33)28-27-24(30)20-12-10-19(11-13-20)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,27,30)(H2,26,28,29,33)/b15-9+