![2-{1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide](/api/spectrum/KeNimcoUo16/structure.png?h=300&w=458 "2-{1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide")
| SpectraBase Compound ID | JzX7g5K8pR |
|---|---|
| InChI | InChI=1S/C29H37ClN4O4S/c1-4-17-38-23-8-5-21(6-9-23)31-27(35)19-25-28(36)34(22-7-10-26(37-3)24(30)18-22)29(39)33(25)16-15-32-13-11-20(2)12-14-32/h5-10,18,20,25H,4,11-17,19H2,1-3H3,(H,31,35) |
| InChIKey | JDJGHAPPLLLPNE-UHFFFAOYSA-N |
| Mol Weight | 573.2 g/mol |
| Molecular Formula | C29H37ClN4O4S |
| Exact Mass | 572.222405 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | KeNimcoUo16 |
|---|---|
| Name | 2-{1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]-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 | 572.222404557 u |
| Formula | C29H37ClN4O4S |
| InChI | InChI=1S/C29H37ClN4O4S/c1-4-17-38-23-8-5-21(6-9-23)31-27(35)19-25-28(36)34(22-7-10-26(37-3)24(30)18-22)29(39)33(25)16-15-32-13-11-20(2)12-14-32/h5-10,18,20,25H,4,11-17,19H2,1-3H3,(H,31,35) |
| InChIKey | JDJGHAPPLLLPNE-UHFFFAOYSA-N |
| Molecular Weight | 573.152 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2508 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279550 |