1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[(Z)-1-(2-pyridyl)ethylideneamino]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[(2Z)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[[(Z)-1-(2-pyridyl)ethylideneamino]thiocarbamoyl]piperazino]quinoline-3-carboxylic acid Formula: C24H25FN6O3S MolecularWeight: 496.557103

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NN=C(C)C4=CC=CC=N4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)N/N=C(/C)\C4=CC=CC=N4)F)C(=O)O

InChI

InChI=1S/C24H25FN6O3S/c1-3-29-14-17(23(33)34)22(32)16-12-18(25)21(13-20(16)29)30-8-10-31(11-9-30)24(35)28-27-15(2)19-6-4-5-7-26-19/h4-7,12-14H,3,8-11H2,1-2H3,(H,28,35)(H,33,34)/b27-15-