![2-{3-[3-(4-benzyl-1-piperazinyl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide](/api/spectrum/EUhm77pjGJS/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-propoxyphenyl)acetamide")
| SpectraBase Compound ID | GtlVOnqmBCn |
|---|---|
| InChI | InChI=1S/C35H43N5O3S2/c1-3-23-43-30-15-13-28(14-16-30)36-33(41)25-32-34(42)40(29-11-7-12-31(24-29)45-2)35(44)39(32)18-8-17-37-19-21-38(22-20-37)26-27-9-5-4-6-10-27/h4-7,9-16,24,32H,3,8,17-23,25-26H2,1-2H3,(H,36,41) |
| InChIKey | QFCNUNRGCJXESN-UHFFFAOYSA-N |
| Mol Weight | 645.9 g/mol |
| Molecular Formula | C35H43N5O3S2 |
| Exact Mass | 645.280733 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EUhm77pjGJS |
|---|---|
| Name | 2-{3-[3-(4-benzyl-1-piperazinyl)propyl]-1-[3-(methylsulfanyl)phenyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)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 | 645.280732610 u |
| Formula | C35H43N5O3S2 |
| InChI | InChI=1S/C35H43N5O3S2/c1-3-23-43-30-15-13-28(14-16-30)36-33(41)25-32-34(42)40(29-11-7-12-31(24-29)45-2)35(44)39(32)18-8-17-37-19-21-38(22-20-37)26-27-9-5-4-6-10-27/h4-7,9-16,24,32H,3,8,17-23,25-26H2,1-2H3,(H,36,41) |
| InChIKey | QFCNUNRGCJXESN-UHFFFAOYSA-N |
| Molecular Weight | 645.881 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5417 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12319116 |