![2-{1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-ethoxyphenyl)acetamide](/api/spectrum/9w6nEalPoUb/structure.png?h=300&w=458 "2-{1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-ethoxyphenyl)acetamide")
| SpectraBase Compound ID | ANfqruVK9bq |
|---|---|
| InChI | InChI=1S/C27H34ClN5O4S/c1-4-37-21-8-5-19(6-9-21)29-25(34)18-23-26(35)33(20-7-10-24(36-3)22(28)17-20)27(38)32(23)16-15-31-13-11-30(2)12-14-31/h5-10,17,23H,4,11-16,18H2,1-3H3,(H,29,34) |
| InChIKey | ZTNXRESSYXTSOL-UHFFFAOYSA-N |
| Mol Weight | 560.1 g/mol |
| Molecular Formula | C27H34ClN5O4S |
| Exact Mass | 559.202003 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 9w6nEalPoUb |
|---|---|
| Name | 2-{1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-ethoxyphenyl)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 | 559.202003465 u |
| Formula | C27H34ClN5O4S |
| InChI | InChI=1S/C27H34ClN5O4S/c1-4-37-21-8-5-19(6-9-21)29-25(34)18-23-26(35)33(20-7-10-24(36-3)22(28)17-20)27(38)32(23)16-15-31-13-11-30(2)12-14-31/h5-10,17,23H,4,11-16,18H2,1-3H3,(H,29,34) |
| InChIKey | ZTNXRESSYXTSOL-UHFFFAOYSA-N |
| Molecular Weight | 560.113 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2489 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279531 |