1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(9H-xanthen-9-ylcarbonylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(9H-xanthen-9-ylcarbonylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(9H-xanthene-9-carbonylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[[[oxo(9H-xanthen-9-yl)methyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(9H-xanthene-9-carbonylcarbamothioyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(9H-xanthene-9-carbonylthiocarbamoyl)piperazino]quinoline-3-carboxylic acid Formula: C32H27FN4O5S MolecularWeight: 598.643983

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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)C5C6=CC=CC=C6OC7=CC=CC=C57)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)NC(=O)C5C6=CC=CC=C6OC7=CC=CC=C57)F)C(=O)O

InChI

InChI=1S/C32H27FN4O5S/c33-23-15-21-24(37(18-9-10-18)17-22(29(21)38)31(40)41)16-25(23)35-11-13-36(14-12-35)32(43)34-30(39)28-19-5-1-3-7-26(19)42-27-8-4-2-6-20(27)28/h1-8,15-18,28H,9-14H2,(H,40,41)(H,34,39,43)