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 Google Search
Mol Weight	516.98 g/mol
Molecular Formula	C24H22ClFN4O4S
Exact Mass	516.103432 g/mol

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SpectraBase Spectrum ID	I2G416kCwn9
Name	3-quinolinecarboxylic acid, 7-[4-[[(2-chlorobenzoyl)amino]carbonothioyl]-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	516.103432237 u
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
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_11717
Solvent	DMSO-d6
Source	Vendor ID: NMR/10271368; Lab Info: OBK; Lab Number: OBK-0003640