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

SpectraBase Compound ID	LdXV8ii1Gn3
InChI	InChI=1S/C16H14BrN3O3S/c1-2-23-15(22)10-3-5-13(6-4-10)19-16(24)20-14(21)11-7-12(17)9-18-8-11/h3-9H,2H2,1H3,(H2,19,20,21,24)
InChIKey	XWHQTQYOMADXSL-UHFFFAOYSA-N Google Search
Mol Weight	408.27 g/mol
Molecular Formula	C16H14BrN3O3S
Exact Mass	406.993925 g/mol

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SpectraBase Spectrum ID	7UQztebLt8V
Name	benzoic acid, 4-[[[[(5-bromo-3-pyridinyl)carbonyl]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/C16H14BrN3O3S/c1-2-23-15(22)10-3-5-13(6-4-10)19-16(24)20-14(21)11-7-12(17)9-18-8-11/h3-9H,2H2,1H3,(H2,19,20,21,24)
InChIKey	XWHQTQYOMADXSL-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_1258
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/11229159