benzoic acid, 4-[[[1-ethyl-5-oxo-3-[(4-pyridinylcarbonyl)amino]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester

SpectraBase Compound ID	G4lmMSNHBdr
InChI	InChI=1S/C22H23N5O5S/c1-3-26-20(30)17(27(22(26)33)25-19(29)14-9-11-23-12-10-14)13-18(28)24-16-7-5-15(6-8-16)21(31)32-4-2/h5-12,17H,3-4,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKey	UJKBYUCQJYETGO-UHFFFAOYSA-N Google Search
Mol Weight	469.52 g/mol
Molecular Formula	C22H23N5O5S
Exact Mass	469.14199 g/mol

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SpectraBase Spectrum ID	65Ib34Ecq0J
Name	benzoic acid, 4-[[[1-ethyl-5-oxo-3-[(4-pyridinylcarbonyl)amino]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl 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/C22H23N5O5S/c1-3-26-20(30)17(27(22(26)33)25-19(29)14-9-11-23-12-10-14)13-18(28)24-16-7-5-15(6-8-16)21(31)32-4-2/h5-12,17H,3-4,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKey	UJKBYUCQJYETGO-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_7631
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: NMR/12241186; Labnumber: 17MH7TE