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propyl 2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

propyl 2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID CM3izx0dU2
InChI InChI=1S/C34H37N3O4S2/c1-5-15-40-33(39)30-25-14-13-21(4)16-29(25)43-32(30)37-34(42)36-31(38)26-18-28(35-27-12-7-6-11-24(26)27)22-9-8-10-23(17-22)41-19-20(2)3/h6-12,17-18,20-21H,5,13-16,19H2,1-4H3,(H2,36,37,38,42)
InChIKey KTMGCXBEZFHKLP-UHFFFAOYSA-N
Mol Weight 615.8 g/mol
Molecular Formula C34H37N3O4S2
Exact Mass 615.222549 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1OvzFgjPe3y
Name propyl 2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C34H37N3O4S2/c1-5-15-40-33(39)30-25-14-13-21(4)16-29(25)43-32(30)37-34(42)36-31(38)26-18-28(35-27-12-7-6-11-24(26)27)22-9-8-10-23(17-22)41-19-20(2)3/h6-12,17-18,20-21H,5,13-16,19H2,1-4H3,(H2,36,37,38,42)
InChIKey KTMGCXBEZFHKLP-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10866
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: 1004002; UBI_ID: UBI-010869
Temperature 308 °C