![2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide](/api/spectrum/CHxVPTDlHT1/structure.png?h=300&w=458 "2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide")
| SpectraBase Compound ID | 7isilT6qUhQ |
|---|---|
| InChI | InChI=1S/C36H45N5O4S/c1-3-25-45-32-15-11-29(12-16-32)37-34(42)26-33-35(43)41(30-13-17-31(18-14-30)44-4-2)36(46)40(33)20-8-19-38-21-23-39(24-22-38)27-28-9-6-5-7-10-28/h5-7,9-18,33H,3-4,8,19-27H2,1-2H3,(H,37,42) |
| InChIKey | QXQKUXWRKLZDRH-UHFFFAOYSA-N |
| Mol Weight | 643.8 g/mol |
| Molecular Formula | C36H45N5O4S |
| Exact Mass | 643.319226 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | CHxVPTDlHT1 |
|---|---|
| Name | 2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(4-ethoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 643.319226119 u |
| Formula | C36H45N5O4S |
| InChI | InChI=1S/C36H45N5O4S/c1-3-25-45-32-15-11-29(12-16-32)37-34(42)26-33-35(43)41(30-13-17-31(18-14-30)44-4-2)36(46)40(33)20-8-19-38-21-23-39(24-22-38)27-28-9-6-5-7-10-28/h5-7,9-18,33H,3-4,8,19-27H2,1-2H3,(H,37,42) |
| InChIKey | QXQKUXWRKLZDRH-UHFFFAOYSA-N |
| Molecular Weight | 643.847 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5426 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12319127 |