1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(phenylcarbamothioylamino)methyl]piperidin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(phenylcarbamothioylamino)methyl]piperidin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(phenylcarbamothioylamino)methyl]-1-piperidyl]quinoline-3-carboxylic acid CAS Name: 7-[4-[[[anilino(sulfanylidene)methyl]amino]methyl]-1-piperidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(phenylcarbamothioylamino)methyl]piperidin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[(phenylthiocarbamoylamino)methyl]piperidino]quinoline-3-carboxylic acid Formula: C26H27FN4O3S MolecularWeight: 494.580983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(CC4)CNC(=S)NC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(CC4)CNC(=S)NC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C26H27FN4O3S/c27-21-12-19-22(31(18-6-7-18)15-20(24(19)32)25(33)34)13-23(21)30-10-8-16(9-11-30)14-28-26(35)29-17-4-2-1-3-5-17/h1-5,12-13,15-16,18H,6-11,14H2,(H,33,34)(H2,28,29,35)