N-cyclopropyl-2-[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-(2-fluoro-5-nitroanilino)-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-(2-fluoro-5-nitroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl]thio]cinchoninamide Formula: C21H17FN4O4S MolecularWeight: 440.447483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1CC1NC(=O)C2=CC(=NC3=CC=CC=C32)SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H17FN4O4S/c22-16-8-7-13(26(29)30)9-18(16)24-19(27)11-31-20-10-15(21(28)23-12-5-6-12)14-3-1-2-4-17(14)25-20/h1-4,7-10,12H,5-6,11H2,(H,23,28)(H,24,27)