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

Systemtic Name: 7-[4-[(4-chlorophenyl)carbonylcarbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(4-chlorobenzoyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[[[(4-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(4-chlorobenzoyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(4-chlorobenzoyl)thiocarbamoyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H22ClFN4O4S MolecularWeight: 528.982983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)NC(=O)C5=CC=C(C=C5)Cl)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)NC(=O)C5=CC=C(C=C5)Cl)F)C(=O)O

InChI

InChI=1S/C25H22ClFN4O4S/c26-15-3-1-14(2-4-15)23(33)28-25(36)30-9-7-29(8-10-30)21-12-20-17(11-19(21)27)22(32)18(24(34)35)13-31(20)16-5-6-16/h1-4,11-13,16H,5-10H2,(H,34,35)(H,28,33,36)