![ethyl 4-{3-[3-(4-benzyl-1-piperazinyl)propyl]-4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate](/api/spectrum/8K0vGoJMiRt/structure.png?h=300&w=458 "ethyl 4-{3-[3-(4-benzyl-1-piperazinyl)propyl]-4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate")
| SpectraBase Compound ID | 3AkCsGrQhO |
|---|---|
| InChI | InChI=1S/C34H38ClN5O4S/c1-2-44-33(43)26-9-15-29(16-10-26)40-32(42)30(23-31(41)36-28-13-11-27(35)12-14-28)39(34(40)45)18-6-17-37-19-21-38(22-20-37)24-25-7-4-3-5-8-25/h3-5,7-16,30H,2,6,17-24H2,1H3,(H,36,41) |
| InChIKey | WAOFNTRPZKUUCW-UHFFFAOYSA-N |
| Mol Weight | 648.2 g/mol |
| Molecular Formula | C34H38ClN5O4S |
| Exact Mass | 647.233304 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 8K0vGoJMiRt |
|---|---|
| Name | ethyl 4-{3-[3-(4-benzyl-1-piperazinyl)propyl]-4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}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 | 647.233303594 u |
| Formula | C34H38ClN5O4S |
| InChI | InChI=1S/C34H38ClN5O4S/c1-2-44-33(43)26-9-15-29(16-10-26)40-32(42)30(23-31(41)36-28-13-11-27(35)12-14-28)39(34(40)45)18-6-17-37-19-21-38(22-20-37)24-25-7-4-3-5-8-25/h3-5,7-16,30H,2,6,17-24H2,1H3,(H,36,41) |
| InChIKey | WAOFNTRPZKUUCW-UHFFFAOYSA-N |
| Molecular Weight | 648.222 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5440 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12319142 |