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

SpectraBase Compound ID	C9iNrt0oFOd
InChI	InChI=1S/C31H30N4O2S2/c1-19(2)18-37-21-10-8-9-20(15-21)27-16-24(22-11-6-7-13-26(22)33-27)29(36)34-31(38)35-30-25(17-32)23-12-4-3-5-14-28(23)39-30/h6-11,13,15-16,19H,3-5,12,14,18H2,1-2H3,(H2,34,35,36,38)
InChIKey	AQRIBSLWHKVYPI-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	KlMamK0Gjnq
Name	N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-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/c1-19(2)18-37-21-10-8-9-20(15-21)27-16-24(22-11-6-7-13-26(22)33-27)29(36)34-31(38)35-30-25(17-32)23-12-4-3-5-14-28(23)39-30/h6-11,13,15-16,19H,3-5,12,14,18H2,1-2H3,(H2,34,35,36,38)
InChIKey	AQRIBSLWHKVYPI-UHFFFAOYSA-N
NMR Offset	16.5281
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_10861
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: 1003049; UBI_ID: UBI-010864
Temperature	308 °C