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N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}thiourea
SpectraBase Compound ID 1xbF3TQWMvD
InChI InChI=1S/C29H26N4O2S2/c1-17(2)35-19-9-7-8-18(14-19)25-15-22(20-10-3-5-12-24(20)31-25)27(34)32-29(36)33-28-23(16-30)21-11-4-6-13-26(21)37-28/h3,5,7-10,12,14-15,17H,4,6,11,13H2,1-2H3,(H2,32,33,34,36)
InChIKey CZGPRKPXSMOLDA-UHFFFAOYSA-N
Mol Weight 526.67 g/mol
Molecular Formula C29H26N4O2S2
Exact Mass 526.149718 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IUcyQaYxHgK
Name N-(3-cyano-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/C29H26N4O2S2/c1-17(2)35-19-9-7-8-18(14-19)25-15-22(20-10-3-5-12-24(20)31-25)27(34)32-29(36)33-28-23(16-30)21-11-4-6-13-26(21)37-28/h3,5,7-10,12,14-15,17H,4,6,11,13H2,1-2H3,(H2,32,33,34,36)
InChIKey CZGPRKPXSMOLDA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7348
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: 9686690; UBI_ID: UBI-007351
Temperature 308 °C