SpectraBase Compound ID | KYquemxXVCq |
---|---|
InChI | InChI=1S/C33H39N5O3S2/c1-3-41-28-15-13-25(14-16-28)34-31(39)24-30-32(40)38(27-11-7-12-29(23-27)43-2)33(42)37(30)18-8-17-35-19-21-36(22-20-35)26-9-5-4-6-10-26/h4-7,9-16,23,30H,3,8,17-22,24H2,1-2H3,(H,34,39) |
InChIKey | AFOAFQMXIOXLEO-UHFFFAOYSA-N |
Mol Weight | 617.8 g/mol |
Molecular Formula | C33H39N5O3S2 |
Exact Mass | 617.249432 g/mol |
SpectraBase Spectrum ID | 6QWrRikkuXq |
---|---|
Name | 4-imidazolidineacetamide, N-(4-ethoxyphenyl)-1-[3-(methylthio)phenyl]-5-oxo-3-[3-(4-phenyl-1-piperazinyl)propyl]-2-thioxo- |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 617.249432481 u |
Formula | C33H39N5O3S2 |
InChI | InChI=1S/C33H39N5O3S2/c1-3-41-28-15-13-25(14-16-28)34-31(39)24-30-32(40)38(27-11-7-12-29(23-27)43-2)33(42)37(30)18-8-17-35-19-21-36(22-20-35)26-9-5-4-6-10-26/h4-7,9-16,23,30H,3,8,17-22,24H2,1-2H3,(H,34,39) |
InChIKey | AFOAFQMXIOXLEO-UHFFFAOYSA-N |
Molecular Weight | 617.827 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2021_489 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13238968 |