benzoic acid, 2-[[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]carbonothioyl]amino]-, methyl ester

SpectraBase Compound ID	7up45EG4IW6
InChI	InChI=1S/C19H19F3N4O2S/c1-28-17(27)14-4-2-3-5-15(14)24-18(29)26-10-8-25(9-11-26)16-7-6-13(12-23-16)19(20,21)22/h2-7,12H,8-11H2,1H3,(H,24,29)
InChIKey	KTSVRRUDSMBYRX-UHFFFAOYSA-N Google Search
Mol Weight	424.44 g/mol
Molecular Formula	C19H19F3N4O2S
Exact Mass	424.118082 g/mol

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SpectraBase Spectrum ID	KmPBMkMFjKH
Name	benzoic acid, 2-[[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]carbonothioyl]amino]-, methyl ester
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C19H19F3N4O2S/c1-28-17(27)14-4-2-3-5-15(14)24-18(29)26-10-8-25(9-11-26)16-7-6-13(12-23-16)19(20,21)22/h2-7,12H,8-11H2,1H3,(H,24,29)
InChIKey	KTSVRRUDSMBYRX-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_9659
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: F36087; Labnumber: NNA-V-24262