1-cyclopropyl-7-[4-[(2,4-dichlorophenyl)carbonylcarbamothioyl]piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[4-[(2,4-dichlorophenyl)carbonylcarbamothioyl]piperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-[(2,4-dichlorobenzoyl)carbamothioyl]piperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-[(2,4-dichlorobenzoyl)carbamothioyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-[(2,4-dichlorobenzoyl)thiocarbamoyl]piperazino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C25H21Cl2FN4O4S MolecularWeight: 563.428043

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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=C(C=C(C=C5)Cl)Cl)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H21Cl2FN4O4S/c26-13-1-4-15(18(27)9-13)23(34)29-25(37)31-7-5-30(6-8-31)21-11-20-16(10-19(21)28)22(33)17(24(35)36)12-32(20)14-2-3-14/h1,4,9-12,14H,2-3,5-8H2,(H,35,36)(H,29,34,37)