![2-{3-[3-(4-benzyl-1-piperazinyl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-chlorophenyl)acetamide](/api/spectrum/1rAAdLRRTkY/structure.png?h=300&w=458 "2-{3-[3-(4-benzyl-1-piperazinyl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-chlorophenyl)acetamide")
| SpectraBase Compound ID | DVVGSibMGcs |
|---|---|
| InChI | InChI=1S/C32H36ClN5O2S2/c1-42-28-10-5-9-27(21-28)38-31(40)29(22-30(39)34-26-13-11-25(33)12-14-26)37(32(38)41)16-6-15-35-17-19-36(20-18-35)23-24-7-3-2-4-8-24/h2-5,7-14,21,29H,6,15-20,22-23H2,1H3,(H,34,39) |
| InChIKey | AIQSOBWIXQIKFL-UHFFFAOYSA-N |
| Mol Weight | 622.2 g/mol |
| Molecular Formula | C32H36ClN5O2S2 |
| Exact Mass | 621.199895 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 1rAAdLRRTkY |
|---|---|
| Name | 2-{3-[3-(4-benzyl-1-piperazinyl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-chlorophenyl)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 | 621.199895465 u |
| Formula | C32H36ClN5O2S2 |
| InChI | InChI=1S/C32H36ClN5O2S2/c1-42-28-10-5-9-27(21-28)38-31(40)29(22-30(39)34-26-13-11-25(33)12-14-26)37(32(38)41)16-6-15-35-17-19-36(20-18-35)23-24-7-3-2-4-8-24/h2-5,7-14,21,29H,6,15-20,22-23H2,1H3,(H,34,39) |
| InChIKey | AIQSOBWIXQIKFL-UHFFFAOYSA-N |
| Molecular Weight | 622.246 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5418 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12319118 |