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

Systemtic Name: 7-[4-[(2,4-dichlorophenyl)carbonylcarbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-[(2,4-dichlorobenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-[(2,4-dichlorobenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-[(2,4-dichlorobenzoyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H21Cl2FN4O4S MolecularWeight: 551.417343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=C(C=C(C=C4)Cl)Cl)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=C(C=C(C=C4)Cl)Cl)F)C(=O)O

InChI

InChI=1S/C24H21Cl2FN4O4S/c1-2-29-12-16(23(34)35)21(32)15-10-18(27)20(11-19(15)29)30-5-7-31(8-6-30)24(36)28-22(33)14-4-3-13(25)9-17(14)26/h3-4,9-12H,2,5-8H2,1H3,(H,34,35)(H,28,33,36)