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methyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

View entire compound with spectra: 1 NMR

methyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID L8fCuqhjNsc
InChI InChI=1S/C32H33N3O4S2/c1-19(2)39-21-12-10-11-20(17-21)26-18-24(22-13-8-9-15-25(22)33-26)29(36)34-32(40)35-30-28(31(37)38-3)23-14-6-4-5-7-16-27(23)41-30/h8-13,15,17-19H,4-7,14,16H2,1-3H3,(H2,34,35,36,40)
InChIKey SZDYYUPWYXARLC-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 1RhZnWAkV9c
Name methyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-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/c1-19(2)39-21-12-10-11-20(17-21)26-18-24(22-13-8-9-15-25(22)33-26)29(36)34-32(40)35-30-28(31(37)38-3)23-14-6-4-5-7-16-27(23)41-30/h8-13,15,17-19H,4-7,14,16H2,1-3H3,(H2,34,35,36,40)
InChIKey SZDYYUPWYXARLC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3269
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: D09827; Labnumber: NNOBK-5273; SBI_ID: SBI-003271
Temperature 315 °C