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

Systemtic Name: 1-cyclopropyl-7-[4-[(4-ethanoylphenyl)carbamothioyl]piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(4-acetylphenyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(4-acetylanilino)-sulfanylidenemethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(4-acetylphenyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(4-acetylphenyl)thiocarbamoyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C26H25FN4O4S MolecularWeight: 508.564503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C26H25FN4O4S/c1-15(32)16-2-4-17(5-3-16)28-26(36)30-10-8-29(9-11-30)23-13-22-19(12-21(23)27)24(33)20(25(34)35)14-31(22)18-6-7-18/h2-5,12-14,18H,6-11H2,1H3,(H,28,36)(H,34,35)