benzoic acid, 2-[[[4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]-1-piperazinyl]carbonothioyl]amino]-, methyl ester

SpectraBase Compound ID	IsIOhWTV6E4
InChI	InChI=1S/C21H28N4O2S/c1-16-8-9-17(2)25(16)15-12-23-10-13-24(14-11-23)21(28)22-19-7-5-4-6-18(19)20(26)27-3/h4-9H,10-15H2,1-3H3,(H,22,28)
InChIKey	JECFSRZCNBPBIZ-UHFFFAOYSA-N Google Search
Mol Weight	400.54 g/mol
Molecular Formula	C21H28N4O2S
Exact Mass	400.193297 g/mol

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SpectraBase Spectrum ID	Ea2wgZECzPu
Name	benzoic acid, 2-[[[4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)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/C21H28N4O2S/c1-16-8-9-17(2)25(16)15-12-23-10-13-24(14-11-23)21(28)22-19-7-5-4-6-18(19)20(26)27-3/h4-9H,10-15H2,1-3H3,(H,22,28)
InChIKey	JECFSRZCNBPBIZ-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_9658
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: F36086; Labnumber: NNA-V-24259