(E)-3-(2-methoxyphenyl)-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxyphenyl)-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-methoxyphenyl)-N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-methoxyphenyl)-N-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]acrylamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H23N3O3S/c1-31-22-13-6-5-10-19(22)14-15-23(29)28-25(32)27-21-12-7-11-20(17-21)26-24(30)16-18-8-3-2-4-9-18/h2-15,17H,16H2,1H3,(H,26,30)(H2,27,28,29,32)/b15-14+