![ethyl 4-[({1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate](/api/spectrum/6Q5MdycA3ge/structure.png?h=300&w=458 "ethyl 4-[({1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate")
| SpectraBase Compound ID | G79mJxcsOnK |
|---|---|
| InChI | InChI=1S/C29H36ClN5O5S/c1-4-40-28(38)20-6-8-21(9-7-20)31-26(36)19-24-27(37)35(22-10-11-25(39-3)23(30)18-22)29(41)34(24)13-5-12-33-16-14-32(2)15-17-33/h6-11,18,24H,4-5,12-17,19H2,1-3H3,(H,31,36) |
| InChIKey | CEBAZBYFEYQKLI-UHFFFAOYSA-N |
| Mol Weight | 602.2 g/mol |
| Molecular Formula | C29H36ClN5O5S |
| Exact Mass | 601.212568 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 6Q5MdycA3ge |
|---|---|
| Name | ethyl 4-[({1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methyl-1-piperazinyl)propyl]-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 | 601.212568148 u |
| Formula | C29H36ClN5O5S |
| InChI | InChI=1S/C29H36ClN5O5S/c1-4-40-28(38)20-6-8-21(9-7-20)31-26(36)19-24-27(37)35(22-10-11-25(39-3)23(30)18-22)29(41)34(24)13-5-12-33-16-14-32(2)15-17-33/h6-11,18,24H,4-5,12-17,19H2,1-3H3,(H,31,36) |
| InChIKey | CEBAZBYFEYQKLI-UHFFFAOYSA-N |
| Molecular Weight | 602.150 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2461 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279502 |