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

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[(4-benzyloxybenzoyl)amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methoxyphenyl)-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[(4-benzoxybenzoyl)amino]thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C25H23N3O4S/c1-31-21-12-7-18(8-13-21)9-16-23(29)26-25(33)28-27-24(30)20-10-14-22(15-11-20)32-17-19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,27,30)(H2,26,28,29,33)/b16-9+