![ethyl 4-{3-[3-(4-benzyl-1-piperazinyl)propyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate](/api/spectrum/7xcXgqlFKPr/structure.png?h=300&w=458 "ethyl 4-{3-[3-(4-benzyl-1-piperazinyl)propyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate")
| SpectraBase Compound ID | D7Cp9Sd3rp3 |
|---|---|
| InChI | InChI=1S/C35H41N5O5S/c1-3-45-34(43)27-10-14-29(15-11-27)40-33(42)31(24-32(41)36-28-12-16-30(44-2)17-13-28)39(35(40)46)19-7-18-37-20-22-38(23-21-37)25-26-8-5-4-6-9-26/h4-6,8-17,31H,3,7,18-25H2,1-2H3,(H,36,41) |
| InChIKey | UHQRFEHZKJWIPE-UHFFFAOYSA-N |
| Mol Weight | 643.8 g/mol |
| Molecular Formula | C35H41N5O5S |
| Exact Mass | 643.282841 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 7xcXgqlFKPr |
|---|---|
| Name | ethyl 4-{3-[3-(4-benzyl-1-piperazinyl)propyl]-4-[2-(4-methoxyanilino)-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 | 643.282840609 u |
| Formula | C35H41N5O5S |
| InChI | InChI=1S/C35H41N5O5S/c1-3-45-34(43)27-10-14-29(15-11-27)40-33(42)31(24-32(41)36-28-12-16-30(44-2)17-13-28)39(35(40)46)19-7-18-37-20-22-38(23-21-37)25-26-8-5-4-6-9-26/h4-6,8-17,31H,3,7,18-25H2,1-2H3,(H,36,41) |
| InChIKey | UHQRFEHZKJWIPE-UHFFFAOYSA-N |
| Molecular Weight | 643.803 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_8590 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13219874 |