1-cyclopropyl-6-fluoranyl-5-methyl-7-[3-methyl-4-[(4-nitrophenyl)carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-5-methyl-7-[3-methyl-4-[(4-nitrophenyl)carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-5-methyl-7-[3-methyl-4-[(4-nitrophenyl)carbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-5-methyl-7-[3-methyl-4-[(4-nitroanilino)-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-5-methyl-7-[3-methyl-4-[(4-nitrophenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-5-methyl-7-[3-methyl-4-[(4-nitrophenyl)thiocarbamoyl]piperazino]quinoline-3-carboxylic acid Formula: C26H26FN5O5S MolecularWeight: 539.578543

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C(=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)C)F

Isomeric SMILES

CC1CN(CCN1C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=C(C(=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)C)F

InChI

InChI=1S/C26H26FN5O5S/c1-14-12-29(9-10-30(14)26(38)28-16-3-5-18(6-4-16)32(36)37)21-11-20-22(15(2)23(21)27)24(33)19(25(34)35)13-31(20)17-7-8-17/h3-6,11,13-14,17H,7-10,12H2,1-2H3,(H,28,38)(H,34,35)