(E)-3-(3,4-dimethoxyphenyl)-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C18H16FN3O5S MolecularWeight: 405.400143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F)OC

InChI

InChI=1S/C18H16FN3O5S/c1-26-15-7-3-11(9-16(15)27-2)4-8-17(23)21-18(28)20-14-10-12(22(24)25)5-6-13(14)19/h3-10H,1-2H3,(H2,20,21,23,28)/b8-4+