![2-{3-[2-(4-methyl-1-piperidinyl)ethyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide](/api/spectrum/D4TV6q1W5Oi/structure.png?h=300&w=458 "2-{3-[2-(4-methyl-1-piperidinyl)ethyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide")
| SpectraBase Compound ID | GdvbCqgR4XE |
|---|---|
| InChI | InChI=1S/C29H38N4O3S2/c1-4-18-36-24-10-8-22(9-11-24)30-27(34)20-26-28(35)33(23-6-5-7-25(19-23)38-3)29(37)32(26)17-16-31-14-12-21(2)13-15-31/h5-11,19,21,26H,4,12-18,20H2,1-3H3,(H,30,34) |
| InChIKey | CJWLMUFTQKPYQP-UHFFFAOYSA-N |
| Mol Weight | 554.8 g/mol |
| Molecular Formula | C29H38N4O3S2 |
| Exact Mass | 554.238533 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | D4TV6q1W5Oi |
|---|---|
| Name | 2-{3-[2-(4-methyl-1-piperidinyl)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 | 554.238533445 u |
| Formula | C29H38N4O3S2 |
| InChI | InChI=1S/C29H38N4O3S2/c1-4-18-36-24-10-8-22(9-11-24)30-27(34)20-26-28(35)33(23-6-5-7-25(19-23)38-3)29(37)32(26)17-16-31-14-12-21(2)13-15-31/h5-11,19,21,26H,4,12-18,20H2,1-3H3,(H,30,34) |
| InChIKey | CJWLMUFTQKPYQP-UHFFFAOYSA-N |
| Molecular Weight | 554.768 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2511 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279553 |