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

SpectraBase Compound ID	9L4asQgWwWm
InChI	InChI=1S/C30H28N4O2S2/c1-17(2)36-20-8-6-7-19(14-20)26-15-23(21-9-4-5-10-25(21)32-26)28(35)33-30(37)34-29-24(16-31)22-12-11-18(3)13-27(22)38-29/h4-10,14-15,17-18H,11-13H2,1-3H3,(H2,33,34,35,37)
InChIKey	CIUFHWNCZRGGPU-UHFFFAOYSA-N Google Search
Mol Weight	540.7 g/mol
Molecular Formula	C30H28N4O2S2
Exact Mass	540.165369 g/mol

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SpectraBase Spectrum ID	1giFfREMHaD
Name	N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-{[2-(3-isopropoxyphenyl)-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/C30H28N4O2S2/c1-17(2)36-20-8-6-7-19(14-20)26-15-23(21-9-4-5-10-25(21)32-26)28(35)33-30(37)34-29-24(16-31)22-12-11-18(3)13-27(22)38-29/h4-10,14-15,17-18H,11-13H2,1-3H3,(H2,33,34,35,37)
InChIKey	CIUFHWNCZRGGPU-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_7357
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: 9686730; UBI_ID: UBI-007360
Temperature	308 °C