| SpectraBase Compound ID | DFp8XAM4DXI |
|---|---|
| InChI | InChI=1S/C35H37BrN4O2S/c36-27-18-19-30(39-22-20-38(21-23-39)29-15-8-3-9-16-29)31(25-27)40(35(42)32-17-10-24-43-32)33(26-11-4-1-5-12-26)34(41)37-28-13-6-2-7-14-28/h1,3-5,8-12,15-19,24-25,28,33H,2,6-7,13-14,20-23H2,(H,37,41) |
| InChIKey | XZWAWGDTXXGMLF-UHFFFAOYSA-N |
| Mol Weight | 657.7 g/mol |
| Molecular Formula | C35H37BrN4O2S |
| Exact Mass | 656.182061 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KLD7DQg370D |
|---|---|
| Name | N-(5-Bromo-2-(4-phenylpiperazin-1-yl)phenyl)-N-(2-(cyclohexylamino)-2-oxo-1-phenylethyl)thiophene-2-carboxamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H37BrN4O2S |
| InChI | InChI=1S/C35H37BrN4O2S/c36-27-18-19-30(39-22-20-38(21-23-39)29-15-8-3-9-16-29)31(25-27)40(35(42)32-17-10-24-43-32)33(26-11-4-1-5-12-26)34(41)37-28-13-6-2-7-14-28/h1,3-5,8-12,15-19,24-25,28,33H,2,6-7,13-14,20-23H2,(H,37,41) |
| InChIKey | XZWAWGDTXXGMLF-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/ardp.201400322 |
| Molecular Weight | 657.671 g/mol |
| SMILES | N(C1CCCCC1)C(C(N(c1c(ccc(Br)c1)N1CCN(CC1)c1ccccc1)C(c1cccs1)=O)c1ccccc1)=O |
| SPLASH | splash10-06vi-3925782000-b1d75b670767d258c5fa |
| Source of Spectrum | APC-348-335-7 |
| Wiley ID | 1773322 |