N-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}-N'-(2-methyl-5-nitrophenyl)thiourea

SpectraBase Compound ID	BOwxVdk5ncL
InChI	InChI=1S/C28H26N4O4S/c1-17(2)16-36-21-8-6-7-19(13-21)26-15-23(22-9-4-5-10-24(22)29-26)27(33)31-28(37)30-25-14-20(32(34)35)12-11-18(25)3/h4-15,17H,16H2,1-3H3,(H2,30,31,33,37)
InChIKey	YAXFEBYUNXWDON-UHFFFAOYSA-N Google Search
Mol Weight	514.6 g/mol
Molecular Formula	C28H26N4O4S
Exact Mass	514.167477 g/mol

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SpectraBase Spectrum ID	89KO0hiWStz
Name	N-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}-N'-(2-methyl-5-nitrophenyl)thiourea
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/C28H26N4O4S/c1-17(2)16-36-21-8-6-7-19(13-21)26-15-23(22-9-4-5-10-24(22)29-26)27(33)31-28(37)30-25-14-20(32(34)35)12-11-18(25)3/h4-15,17H,16H2,1-3H3,(H2,30,31,33,37)
InChIKey	YAXFEBYUNXWDON-UHFFFAOYSA-N
NMR Offset	16.5281
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_10872
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: 1003164; UBI_ID: UBI-010875
Temperature	308 °C