N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}thiourea

SpectraBase Compound ID	GNor2Fj61IN
InChI	InChI=1S/C30H28N4O2S2/c1-18(2)36-20-10-8-9-19(15-20)26-16-23(21-11-6-7-13-25(21)32-26)28(35)33-30(37)34-29-24(17-31)22-12-4-3-5-14-27(22)38-29/h6-11,13,15-16,18H,3-5,12,14H2,1-2H3,(H2,33,34,35,37)
InChIKey	AVTAUKDOWWEJBQ-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	Ki3CDbeNhNJ
Name	N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-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/c1-18(2)36-20-10-8-9-19(15-20)26-16-23(21-11-6-7-13-25(21)32-26)28(35)33-30(37)34-29-24(17-31)22-12-4-3-5-14-27(22)38-29/h6-11,13,15-16,18H,3-5,12,14H2,1-2H3,(H2,33,34,35,37)
InChIKey	AVTAUKDOWWEJBQ-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_7349
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: 9686774; UBI_ID: UBI-007352
Temperature	308 °C