(E)-3-(4-nitrophenyl)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-nitrophenyl)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-nitrophenyl)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-nitrophenyl)-N-[[3-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-nitrophenyl)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-nitrophenyl)-N-[[3-(2-phenoxyethoxy)phenyl]thiocarbamoyl]acrylamide Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O5S/c28-23(14-11-18-9-12-20(13-10-18)27(29)30)26-24(33)25-19-5-4-8-22(17-19)32-16-15-31-21-6-2-1-3-7-21/h1-14,17H,15-16H2,(H2,25,26,28,33)/b14-11+