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

Systemtic Name: (E)-N-[(2,2-diphenylethanoylamino)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-3-(4-methoxyphenyl)-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S/c1-31-21-15-12-18(13-16-21)14-17-22(29)26-25(32)28-27-24(30)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-17,23H,1H3,(H,27,30)(H2,26,28,29,32)/b17-14+