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

SpectraBase Compound ID	GOCbdTrZmdm
InChI	InChI=1S/C22H23N3O4S/c1-28-12-11-25(14-15-13-20(26)23-18-9-5-3-7-16(15)18)22(30)24-19-10-6-4-8-17(19)21(27)29-2/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,24,30)
InChIKey	MJPHFPKYEHVHQZ-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	2tmNxm9f7I5
Name	benzoic acid, 2-[[[[(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(14-15-13-20(26)23-18-9-5-3-7-16(15)18)22(30)24-19-10-6-4-8-17(19)21(27)29-2/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,24,30)
InChIKey	MJPHFPKYEHVHQZ-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_9653
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: F36079; Labnumber: NNA-V-24222