(E)-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-3-(4-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]-3-(4-fluorophenyl)acrylamide Formula: C18H16FN3O4S MolecularWeight: 389.400743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16FN3O4S/c1-2-26-14-8-9-15(16(11-14)22(24)25)20-18(27)21-17(23)10-5-12-3-6-13(19)7-4-12/h3-11H,2H2,1H3,(H2,20,21,23,27)/b10-5+