2-chloro-4-({[(3-isopropoxybenzoyl)amino]carbothioyl}amino)benzoic acid

SpectraBase Compound ID	1aOk13ZJ8J5
InChI	InChI=1S/C18H17ClN2O4S/c1-10(2)25-13-5-3-4-11(8-13)16(22)21-18(26)20-12-6-7-14(17(23)24)15(19)9-12/h3-10H,1-2H3,(H,23,24)(H2,20,21,22,26)
InChIKey	FMTSPSFBZUMWFK-UHFFFAOYSA-N Google Search
Mol Weight	392.86 g/mol
Molecular Formula	C18H17ClN2O4S
Exact Mass	392.059756 g/mol

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SpectraBase Spectrum ID	FKeJtueosda
Name	2-chloro-4-({[(3-isopropoxybenzoyl)amino]carbothioyl}amino)benzoic acid
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/C18H17ClN2O4S/c1-10(2)25-13-5-3-4-11(8-13)16(22)21-18(26)20-12-6-7-14(17(23)24)15(19)9-12/h3-10H,1-2H3,(H,23,24)(H2,20,21,22,26)
InChIKey	FMTSPSFBZUMWFK-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_5543
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: D22937; Labnumber: SPMOS1-24881; SBI_ID: SBI-005545
Temperature	318 °C