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ethyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 3zIpjUXbmjQ
InChI InChI=1S/C32H33N3O4S2/c1-5-38-31(37)28-23-14-13-19(4)15-27(23)41-30(28)35-32(40)34-29(36)24-17-26(33-25-12-7-6-11-22(24)25)20-9-8-10-21(16-20)39-18(2)3/h6-12,16-19H,5,13-15H2,1-4H3,(H2,34,35,36,40)
InChIKey WGANKTQYNPIRIN-UHFFFAOYSA-N
Mol Weight 587.8 g/mol
Molecular Formula C32H33N3O4S2
Exact Mass 587.191249 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E4yfO4sSxGL
Name ethyl 2-{[({[2-(3-isopropoxyphenyl)-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/C32H33N3O4S2/c1-5-38-31(37)28-23-14-13-19(4)15-27(23)41-30(28)35-32(40)34-29(36)24-17-26(33-25-12-7-6-11-22(24)25)20-9-8-10-21(16-20)39-18(2)3/h6-12,16-19H,5,13-15H2,1-4H3,(H2,34,35,36,40)
InChIKey WGANKTQYNPIRIN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7345
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: 9685795; UBI_ID: UBI-007348
Temperature 308 °C