4-thiazoleacetic acid, 2-[[[(4-benzoylbenzoyl)amino]carbonothioyl]amino]-, ethyl ester

SpectraBase Compound ID	DosG4UyVfet
InChI	InChI=1S/C22H19N3O4S2/c1-2-29-18(26)12-17-13-31-22(23-17)25-21(30)24-20(28)16-10-8-15(9-11-16)19(27)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H2,23,24,25,28,30)
InChIKey	SENFGRRWBHCFSS-UHFFFAOYSA-N Google Search
Mol Weight	453.53 g/mol
Molecular Formula	C22H19N3O4S2
Exact Mass	453.081698 g/mol

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SpectraBase Spectrum ID	Hlku1kBWNSi
Name	4-thiazoleacetic acid, 2-[[[(4-benzoylbenzoyl)amino]carbonothioyl]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/C22H19N3O4S2/c1-2-29-18(26)12-17-13-31-22(23-17)25-21(30)24-20(28)16-10-8-15(9-11-16)19(27)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H2,23,24,25,28,30)
InChIKey	SENFGRRWBHCFSS-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_6547
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/10266869