| SpectraBase Spectrum ID |
1CCMpEZAihP |
| Name |
methyl 2-{[({[2-(3-isobutoxyphenyl)-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/c1-19(2)18-39-21-11-9-10-20(16-21)26-17-24(22-12-7-8-14-25(22)33-26)29(36)34-32(40)35-30-28(31(37)38-3)23-13-5-4-6-15-27(23)41-30/h7-12,14,16-17,19H,4-6,13,15,18H2,1-3H3,(H2,34,35,36,40) |
| InChIKey |
JBQLSIXFDDOPFX-UHFFFAOYSA-N |
| NMR Offset |
16.5281 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI_21270_10864 |
| 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: 1003446; UBI_ID: UBI-010867 |
| Temperature |
308 °C |
![methyl 2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate](/api/spectrum/1CCMpEZAihP/structure.png?h=300&w=458 "methyl 2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate")
