N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}thiourea

SpectraBase Compound ID	5eqVovDcSHx
InChI	InChI=1S/C31H30N4O2S2/c1-18(2)17-37-21-8-6-7-20(14-21)27-15-24(22-9-4-5-10-26(22)33-27)29(36)34-31(38)35-30-25(16-32)23-12-11-19(3)13-28(23)39-30/h4-10,14-15,18-19H,11-13,17H2,1-3H3,(H2,34,35,36,38)
InChIKey	YQUPSMIIXSBSLK-UHFFFAOYSA-N Google Search
Mol Weight	554.73 g/mol
Molecular Formula	C31H30N4O2S2
Exact Mass	554.181019 g/mol

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SpectraBase Spectrum ID	AE9g0sDBABD
Name	N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}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/C31H30N4O2S2/c1-18(2)17-37-21-8-6-7-20(14-21)27-15-24(22-9-4-5-10-26(22)33-27)29(36)34-31(38)35-30-25(16-32)23-12-11-19(3)13-28(23)39-30/h4-10,14-15,18-19H,11-13,17H2,1-3H3,(H2,34,35,36,38)
InChIKey	YQUPSMIIXSBSLK-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_10860
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: 1003861; UBI_ID: UBI-010863
Temperature	308 °C