![ethyl 4-[({1-(3-chlorophenyl)-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate](/api/spectrum/HsGWTwQ0UaF/structure.png?h=300&w=458 "ethyl 4-[({1-(3-chlorophenyl)-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate")
| SpectraBase Compound ID | 7eAT8UtynKk |
|---|---|
| InChI | InChI=1S/C27H32ClN5O4S/c1-3-37-26(36)19-7-9-21(10-8-19)29-24(34)18-23-25(35)33(22-6-4-5-20(28)17-22)27(38)32(23)16-15-31-13-11-30(2)12-14-31/h4-10,17,23H,3,11-16,18H2,1-2H3,(H,29,34) |
| InChIKey | AJGYAUIKGKBVIF-UHFFFAOYSA-N |
| Mol Weight | 558.1 g/mol |
| Molecular Formula | C27H32ClN5O4S |
| Exact Mass | 557.186353 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | HsGWTwQ0UaF |
|---|---|
| Name | ethyl 4-[({1-(3-chlorophenyl)-3-[2-(4-methyl-1-piperazinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 557.186353400 u |
| Formula | C27H32ClN5O4S |
| InChI | InChI=1S/C27H32ClN5O4S/c1-3-37-26(36)19-7-9-21(10-8-19)29-24(34)18-23-25(35)33(22-6-4-5-20(28)17-22)27(38)32(23)16-15-31-13-11-30(2)12-14-31/h4-10,17,23H,3,11-16,18H2,1-2H3,(H,29,34) |
| InChIKey | AJGYAUIKGKBVIF-UHFFFAOYSA-N |
| Molecular Weight | 558.097 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2487 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279529 |