![2-{1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-methoxyphenyl)acetamide](/api/spectrum/Jbi1saKN9hT/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-methoxyphenyl)acetamide")
| SpectraBase Compound ID | 9zi3ZTKup7E |
|---|---|
| InChI | InChI=1S/C27H33ClN4O4S/c1-18-10-12-30(13-11-18)14-15-31-23(17-25(33)29-19-4-7-21(35-2)8-5-19)26(34)32(27(31)37)20-6-9-24(36-3)22(28)16-20/h4-9,16,18,23H,10-15,17H2,1-3H3,(H,29,33) |
| InChIKey | QOCQMDGVUQCYSB-UHFFFAOYSA-N |
| Mol Weight | 545.1 g/mol |
| Molecular Formula | C27H33ClN4O4S |
| Exact Mass | 544.191104 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Jbi1saKN9hT |
|---|---|
| Name | 2-{1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-methoxyphenyl)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 | 544.191104429 u |
| Formula | C27H33ClN4O4S |
| InChI | InChI=1S/C27H33ClN4O4S/c1-18-10-12-30(13-11-18)14-15-31-23(17-25(33)29-19-4-7-21(35-2)8-5-19)26(34)32(27(31)37)20-6-9-24(36-3)22(28)16-20/h4-9,16,18,23H,10-15,17H2,1-3H3,(H,29,33) |
| InChIKey | QOCQMDGVUQCYSB-UHFFFAOYSA-N |
| Molecular Weight | 545.098 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2474 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279516 |