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

SpectraBase Compound ID	5e7NOOmVkEp
InChI	InChI=1S/C20H29N5O3S/c1-22-7-11-24(12-8-22)18(26)15-23-9-13-25(14-10-23)20(29)21-17-5-3-16(4-6-17)19(27)28-2/h3-6H,7-15H2,1-2H3,(H,21,29)
InChIKey	RAUNCQOOFWLJAR-UHFFFAOYSA-N Google Search
Mol Weight	419.54 g/mol
Molecular Formula	C20H29N5O3S
Exact Mass	419.199111 g/mol

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SpectraBase Spectrum ID	BG7nB3vVQg7
Name	benzoic acid, 4-[[[4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-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/C20H29N5O3S/c1-22-7-11-24(12-8-22)18(26)15-23-9-13-25(14-10-23)20(29)21-17-5-3-16(4-6-17)19(27)28-2/h3-6H,7-15H2,1-2H3,(H,21,29)
InChIKey	RAUNCQOOFWLJAR-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_9677
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: F36110; Labnumber: NNA-V-24910