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ethyl 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

ethyl 2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FWn0VjpSTx4
InChI InChI=1S/C33H35N3O4S2/c1-5-39-32(38)29-24-14-13-20(4)15-28(24)42-31(29)36-33(41)35-30(37)25-17-27(34-26-12-7-6-11-23(25)26)21-9-8-10-22(16-21)40-18-19(2)3/h6-12,16-17,19-20H,5,13-15,18H2,1-4H3,(H2,35,36,37,41)
InChIKey XZHNUGWHLCRRQJ-UHFFFAOYSA-N
Mol Weight 601.8 g/mol
Molecular Formula C33H35N3O4S2
Exact Mass 601.206899 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 15upyCaRfam
Name ethyl 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/C33H35N3O4S2/c1-5-39-32(38)29-24-14-13-20(4)15-28(24)42-31(29)36-33(41)35-30(37)25-17-27(34-26-12-7-6-11-23(25)26)21-9-8-10-22(16-21)40-18-19(2)3/h6-12,16-17,19-20H,5,13-15,18H2,1-4H3,(H2,35,36,37,41)
InChIKey XZHNUGWHLCRRQJ-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10857
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: 1003370; UBI_ID: UBI-010860
Temperature 308 °C