![ethyl 4-[({1-(3-chlorophenyl)-3-[3-(4-methyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate](/api/spectrum/6f24l2Joe08/structure.png?h=300&w=458 "ethyl 4-[({1-(3-chlorophenyl)-3-[3-(4-methyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}acetyl)amino]benzoate")
| SpectraBase Compound ID | IS8s0EpDwrz |
|---|---|
| InChI | InChI=1S/C28H34ClN5O4S/c1-3-38-27(37)20-8-10-22(11-9-20)30-25(35)19-24-26(36)34(23-7-4-6-21(29)18-23)28(39)33(24)13-5-12-32-16-14-31(2)15-17-32/h4,6-11,18,24H,3,5,12-17,19H2,1-2H3,(H,30,35) |
| InChIKey | LZAQEDCSZVLVPK-UHFFFAOYSA-N |
| Mol Weight | 572.1 g/mol |
| Molecular Formula | C28H34ClN5O4S |
| Exact Mass | 571.202003 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 6f24l2Joe08 |
|---|---|
| Name | ethyl 4-[({1-(3-chlorophenyl)-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 | 571.202003465 u |
| Formula | C28H34ClN5O4S |
| InChI | InChI=1S/C28H34ClN5O4S/c1-3-38-27(37)20-8-10-22(11-9-20)30-25(35)19-24-26(36)34(23-7-4-6-21(29)18-23)28(39)33(24)13-5-12-32-16-14-31(2)15-17-32/h4,6-11,18,24H,3,5,12-17,19H2,1-2H3,(H,30,35) |
| InChIKey | LZAQEDCSZVLVPK-UHFFFAOYSA-N |
| Molecular Weight | 572.124 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2512 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279554 |