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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(pyridin-3-ylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(3-pyridylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(3-pyridinylamino)-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(pyridin-3-ylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(3-pyridylthiocarbamoyl)piperazino]quinoline-3-carboxylic acid Formula: C23H22FN5O3S MolecularWeight: 467.515883

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=CN=CC=C5)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H22FN5O3S/c24-18-10-16-19(29(15-3-4-15)13-17(21(16)30)22(31)32)11-20(18)27-6-8-28(9-7-27)23(33)26-14-2-1-5-25-12-14/h1-2,5,10-13,15H,3-4,6-9H2,(H,26,33)(H,31,32)