benzoic acid, 2-[[[[(2-hydroxy-4-quinolinyl)methyl](3-methoxypropyl)amino]carbonothioyl]amino]-, methyl ester

SpectraBase Compound ID	6BO7TTNfer0
InChI	InChI=1S/C23H25N3O4S/c1-29-13-7-12-26(15-16-14-21(27)24-19-10-5-3-8-17(16)19)23(31)25-20-11-6-4-9-18(20)22(28)30-2/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,24,27)(H,25,31)
InChIKey	PJEDIAOXTWANSY-UHFFFAOYSA-N Google Search
Mol Weight	439.53 g/mol
Molecular Formula	C23H25N3O4S
Exact Mass	439.156577 g/mol

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SpectraBase Spectrum ID	B4dGTi9znXW
Name	benzoic acid, 2-[[[[(2-hydroxy-4-quinolinyl)methyl](3-methoxypropyl)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/C23H25N3O4S/c1-29-13-7-12-26(15-16-14-21(27)24-19-10-5-3-8-17(16)19)23(31)25-20-11-6-4-9-18(20)22(28)30-2/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,24,27)(H,25,31)
InChIKey	PJEDIAOXTWANSY-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_11628_9652
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: F36078; Labnumber: NNA-V-24217