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

Systemtic Name: (E)-N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-3-(4-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-3-(4-fluorophenyl)acrylamide Formula: C16H11BrFN3O3S MolecularWeight: 424.244243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)F

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrFN3O3S/c17-13-9-12(21(23)24)6-7-14(13)19-16(25)20-15(22)8-3-10-1-4-11(18)5-2-10/h1-9H,(H2,19,20,22,25)/b8-3+