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

SpectraBase Compound ID	v2gsSzjSec
InChI	InChI=1S/C28H24N4O2S2/c1-16(2)34-18-8-5-7-17(13-18)24-14-21(19-9-3-4-11-23(19)30-24)26(33)31-28(35)32-27-22(15-29)20-10-6-12-25(20)36-27/h3-5,7-9,11,13-14,16H,6,10,12H2,1-2H3,(H2,31,32,33,35)
InChIKey	IGLWWHQOKISEQL-UHFFFAOYSA-N Google Search
Mol Weight	512.65 g/mol
Molecular Formula	C28H24N4O2S2
Exact Mass	512.134068 g/mol

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SpectraBase Spectrum ID	EZneZbekBh1
Name	N-(3-cyano-5,6-dihydro-4H-cyclopenta[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/C28H24N4O2S2/c1-16(2)34-18-8-5-7-17(13-18)24-14-21(19-9-3-4-11-23(19)30-24)26(33)31-28(35)32-27-22(15-29)20-10-6-12-25(20)36-27/h3-5,7-9,11,13-14,16H,6,10,12H2,1-2H3,(H2,31,32,33,35)
InChIKey	IGLWWHQOKISEQL-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_7369
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: 9686591; UBI_ID: UBI-007372
Temperature	308 °C