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

SpectraBase Compound ID	HOYvfHE3DbJ
InChI	InChI=1S/C29H26N4O2S2/c1-17(2)16-35-19-8-5-7-18(13-19)25-14-22(20-9-3-4-11-24(20)31-25)27(34)32-29(36)33-28-23(15-30)21-10-6-12-26(21)37-28/h3-5,7-9,11,13-14,17H,6,10,12,16H2,1-2H3,(H2,32,33,34,36)
InChIKey	GQBHURNMQSUZIS-UHFFFAOYSA-N Google Search
Mol Weight	526.67 g/mol
Molecular Formula	C29H26N4O2S2
Exact Mass	526.149718 g/mol

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SpectraBase Spectrum ID	DDzZABJumDF
Name	N-(3-cyano-5,6-dihydro-4H-cyclopenta[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/C29H26N4O2S2/c1-17(2)16-35-19-8-5-7-18(13-19)25-14-22(20-9-3-4-11-24(20)31-25)27(34)32-29(36)33-28-23(15-30)21-10-6-12-26(21)37-28/h3-5,7-9,11,13-14,17H,6,10,12,16H2,1-2H3,(H2,32,33,34,36)
InChIKey	GQBHURNMQSUZIS-UHFFFAOYSA-N
NMR Offset	16.5281
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_10867
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	ACETONE-d6
Source File Reference	VendorID: 1004010; UBI_ID: UBI-010870
Temperature	308 °C