benzoic acid, 4-[[[[(2-hydroxy-4-quinolinyl)methyl](2-methoxyethyl)amino]carbonothioyl]amino]-, methyl ester

SpectraBase Compound ID	6SN2FjJsSvf
InChI	InChI=1S/C22H23N3O4S/c1-28-12-11-25(14-16-13-20(26)24-19-6-4-3-5-18(16)19)22(30)23-17-9-7-15(8-10-17)21(27)29-2/h3-10,13H,11-12,14H2,1-2H3,(H,23,30)(H,24,26)
InChIKey	VJLVBVMKOBUVMW-UHFFFAOYSA-N Google Search
Mol Weight	425.5 g/mol
Molecular Formula	C22H23N3O4S
Exact Mass	425.140927 g/mol

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SpectraBase Spectrum ID	1AVJIV1ycAU
Name	benzoic acid, 4-[[[[(2-hydroxy-4-quinolinyl)methyl](2-methoxyethyl)amino]carbonothioyl]amino]-, methyl 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/C22H23N3O4S/c1-28-12-11-25(14-16-13-20(26)24-19-6-4-3-5-18(16)19)22(30)23-17-9-7-15(8-10-17)21(27)29-2/h3-10,13H,11-12,14H2,1-2H3,(H,23,30)(H,24,26)
InChIKey	VJLVBVMKOBUVMW-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_9673
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: F36104; Labnumber: NNA-V-24872