![2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(3-chlorophenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide](/api/spectrum/EofFbl9fury/structure.png?h=300&w=458 "2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(3-chlorophenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide")
| SpectraBase Compound ID | 3bHUjwaCjEr |
|---|---|
| InChI | InChI=1S/C34H40ClN5O3S/c1-2-22-43-30-14-12-28(13-15-30)36-32(41)24-31-33(42)40(29-11-6-10-27(35)23-29)34(44)39(31)17-7-16-37-18-20-38(21-19-37)25-26-8-4-3-5-9-26/h3-6,8-15,23,31H,2,7,16-22,24-25H2,1H3,(H,36,41) |
| InChIKey | XQKFTIUPMXIKGB-UHFFFAOYSA-N |
| Mol Weight | 634.2 g/mol |
| Molecular Formula | C34H40ClN5O3S |
| Exact Mass | 633.254039 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | EofFbl9fury |
|---|---|
| Name | 2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(3-chlorophenyl)-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 | 633.254039039 u |
| Formula | C34H40ClN5O3S |
| InChI | InChI=1S/C34H40ClN5O3S/c1-2-22-43-30-14-12-28(13-15-30)36-32(41)24-31-33(42)40(29-11-6-10-27(35)23-29)34(44)39(31)17-7-16-37-18-20-38(21-19-37)25-26-8-4-3-5-9-26/h3-6,8-15,23,31H,2,7,16-22,24-25H2,1H3,(H,36,41) |
| InChIKey | XQKFTIUPMXIKGB-UHFFFAOYSA-N |
| Molecular Weight | 634.239 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5431 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12319132 |