7-[4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[(2-chloroanilino)-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(2-chlorophenyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H22ClFN4O3S MolecularWeight: 488.962183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4Cl)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4Cl)F)C(=O)O

InChI

InChI=1S/C23H22ClFN4O3S/c1-2-27-13-15(22(31)32)21(30)14-11-17(25)20(12-19(14)27)28-7-9-29(10-8-28)23(33)26-18-6-4-3-5-16(18)24/h3-6,11-13H,2,7-10H2,1H3,(H,26,33)(H,31,32)