![2-{3-[2-(4-methyl-1-piperazinyl)ethyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide](/api/spectrum/DSvB97GTv4l/structure.png?h=300&w=458 "2-{3-[2-(4-methyl-1-piperazinyl)ethyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide")
| SpectraBase Compound ID | GpnOfJgQXEF |
|---|---|
| InChI | InChI=1S/C28H37N5O3S2/c1-4-18-36-23-10-8-21(9-11-23)29-26(34)20-25-27(35)33(22-6-5-7-24(19-22)38-3)28(37)32(25)17-16-31-14-12-30(2)13-15-31/h5-11,19,25H,4,12-18,20H2,1-3H3,(H,29,34) |
| InChIKey | NXLUXFJARBWGJE-UHFFFAOYSA-N |
| Mol Weight | 555.8 g/mol |
| Molecular Formula | C28H37N5O3S2 |
| Exact Mass | 555.233782 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | DSvB97GTv4l |
|---|---|
| Name | 2-{3-[2-(4-methyl-1-piperazinyl)ethyl]-1-[3-(methylsulfanyl)phenyl]-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 | 555.233782416 u |
| Formula | C28H37N5O3S2 |
| InChI | InChI=1S/C28H37N5O3S2/c1-4-18-36-23-10-8-21(9-11-23)29-26(34)20-25-27(35)33(22-6-5-7-24(19-22)38-3)28(37)32(25)17-16-31-14-12-30(2)13-15-31/h5-11,19,25H,4,12-18,20H2,1-3H3,(H,29,34) |
| InChIKey | NXLUXFJARBWGJE-UHFFFAOYSA-N |
| Molecular Weight | 555.756 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2502 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279544 |