For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

ethyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

View entire compound with spectra: 1 NMR

ethyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID FTqeIRwf56y
InChI InChI=1S/C32H33N3O4S2/c1-4-38-31(37)28-23-14-6-5-7-16-27(23)41-30(28)35-32(40)34-29(36)24-18-26(33-25-15-9-8-13-22(24)25)20-11-10-12-21(17-20)39-19(2)3/h8-13,15,17-19H,4-7,14,16H2,1-3H3,(H2,34,35,36,40)
InChIKey PALKKXYDPYLUMW-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I09qnjoUSzp
Name ethyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[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/c1-4-38-31(37)28-23-14-6-5-7-16-27(23)41-30(28)35-32(40)34-29(36)24-18-26(33-25-15-9-8-13-22(24)25)20-11-10-12-21(17-20)39-19(2)3/h8-13,15,17-19H,4-7,14,16H2,1-3H3,(H2,34,35,36,40)
InChIKey PALKKXYDPYLUMW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7344
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: 9686636; UBI_ID: UBI-007347
Temperature 308 °C