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

SpectraBase Compound ID	CyyUPqkn1r9
InChI	InChI=1S/C20H24N4O2S/c1-26-19(25)17-4-2-3-5-18(17)22-20(27)24-14-12-23(13-15-24)11-8-16-6-9-21-10-7-16/h2-7,9-10H,8,11-15H2,1H3,(H,22,27)
InChIKey	WPPUQRCQZASDEL-UHFFFAOYSA-N Google Search
Mol Weight	384.5 g/mol
Molecular Formula	C20H24N4O2S
Exact Mass	384.161997 g/mol

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SpectraBase Spectrum ID	1e12aekUMcR
Name	benzoic acid, 2-[[[4-[2-(4-pyridinyl)ethyl]-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/C20H24N4O2S/c1-26-19(25)17-4-2-3-5-18(17)22-20(27)24-14-12-23(13-15-24)11-8-16-6-9-21-10-7-16/h2-7,9-10H,8,11-15H2,1H3,(H,22,27)
InChIKey	WPPUQRCQZASDEL-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_9654
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: F36082; Labnumber: NNA-V-24239