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7-[4-[(2-chlorobenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
SpectraBase Compound ID 2tag1BlC79o
InChI InChI=1S/C24H22ClFN4O4S/c1-2-28-13-16(23(33)34)21(31)15-11-18(26)20(12-19(15)28)29-7-9-30(10-8-29)24(35)27-22(32)14-5-3-4-6-17(14)25/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)
InChIKey YZVIRISNWADVOU-UHFFFAOYSA-N
Mol Weight 516.98 g/mol
Molecular Formula C24H22ClFN4O4S
Exact Mass 516.103432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUydnDTCDgW
Name 7-[4-[(2-chlorobenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
Alternate Name(s) 7-[4-[(2-chlorobenzoyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid 7-[4-[(2-chlorophenyl)carbonylcarbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid 7-[4-[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
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Formula C24H22ClFN4O4S
InChI InChI=1S/C24H22ClFN4O4S/c1-2-28-13-16(23(33)34)21(31)15-11-18(26)20(12-19(15)28)29-7-9-30(10-8-29)24(35)27-22(32)14-5-3-4-6-17(14)25/h3-6,11-13H,2,7-10H2,1H3,(H,33,34)(H,27,32,35)
InChIKey YZVIRISNWADVOU-UHFFFAOYSA-N
Molecular Weight 516.975 g/mol
SMILES N(C(N1CCN(c2c(cc3C(C(C(=O)O)=CN(c3c2)CC)=O)F)CC1)=S)C(c1c(Cl)cccc1)=O
SPLASH splash10-000i-3900000000-1e9dbd78ef30050dc627
Wiley ID 1462503