benzoic acid, 4-[[[[(5-bromo-3-pyridinyl)carbonyl]amino]carbonothioyl]amino]-, 1-methylethyl ester

SpectraBase Compound ID	Ii3M8ptaJfN
InChI	InChI=1S/C17H16BrN3O3S/c1-10(2)24-16(23)11-3-5-14(6-4-11)20-17(25)21-15(22)12-7-13(18)9-19-8-12/h3-10H,1-2H3,(H2,20,21,22,25)
InChIKey	HWIHVLRRZGTMMI-UHFFFAOYSA-N Google Search
Mol Weight	422.3 g/mol
Molecular Formula	C17H16BrN3O3S
Exact Mass	421.009576 g/mol

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SpectraBase Spectrum ID	DgK678XSOiL
Name	benzoic acid, 4-[[[[(5-bromo-3-pyridinyl)carbonyl]amino]carbonothioyl]amino]-, 1-methylethyl 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/C17H16BrN3O3S/c1-10(2)24-16(23)11-3-5-14(6-4-11)20-17(25)21-15(22)12-7-13(18)9-19-8-12/h3-10H,1-2H3,(H2,20,21,22,25)
InChIKey	HWIHVLRRZGTMMI-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_1253
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/11229152