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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C26H25N3O4S/c1-2-32-23-14-11-19(12-15-23)13-16-24(30)29-26(34)28-21-8-6-7-20(17-21)27-25(31)18-33-22-9-4-3-5-10-22/h3-17H,2,18H2,1H3,(H,27,31)(H2,28,29,30,34)/b16-13+