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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[(4-fluoroanilino)-sulfanylidenemethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)thiocarbamoyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C24H22F2N4O3S MolecularWeight: 484.518286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)NC5=CC=C(C=C5)F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)NC5=CC=C(C=C5)F)F)C(=O)O

InChI

InChI=1S/C24H22F2N4O3S/c25-14-1-3-15(4-2-14)27-24(34)29-9-7-28(8-10-29)21-12-20-17(11-19(21)26)22(31)18(23(32)33)13-30(20)16-5-6-16/h1-4,11-13,16H,5-10H2,(H,27,34)(H,32,33)