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

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]acrylamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O4S/c29-24(15-14-20-9-4-12-22(17-20)28(30)31)27-25(33)26-21-11-5-13-23(18-21)32-16-6-10-19-7-2-1-3-8-19/h1-5,7-9,11-15,17-18H,6,10,16H2,(H2,26,27,29,33)/b15-14+