1-cyclopropyl-6-fluoranyl-7-[4-[(2-fluorophenyl)carbamothioyl]-3-methyl-piperazin-1-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-[(2-fluorophenyl)carbamothioyl]-3-methyl-piperazin-1-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-[(2-fluorophenyl)carbamothioyl]-3-methyl-piperazin-1-yl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[(2-fluoroanilino)-sulfanylidenemethyl]-3-methyl-1-piperazinyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-[(2-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[4-[(2-fluorophenyl)thiocarbamoyl]-3-methyl-piperazino]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C26H26F2N4O4S MolecularWeight: 528.570846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)NC2=CC=CC=C2F)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC1CN(CCN1C(=S)NC2=CC=CC=C2F)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C26H26F2N4O4S/c1-14-12-30(9-10-31(14)26(37)29-20-6-4-3-5-18(20)27)22-19(28)11-16-21(24(22)36-2)32(15-7-8-15)13-17(23(16)33)25(34)35/h3-6,11,13-15H,7-10,12H2,1-2H3,(H,29,37)(H,34,35)