(E)-3-(4-methylphenyl)-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methylphenyl)-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-3-(4-methylphenyl)-N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

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