EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H25N3O3S |
| Net Charge | 0 |
| Average Mass | 411.527 |
| Monoisotopic Mass | 411.16166 |
| SMILES | COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1 |
| InChI | InChI=1S/C22H25N3O3S/c1-15-7-10-18(13-16(15)2)23-20(26)14-29-22-25-24-21(28-22)6-4-5-17-8-11-19(27-3)12-9-17/h7-13H,4-6,14H2,1-3H3,(H,23,26) |
| InChIKey | PKJYYOGRHWGJBE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3,4-dimethylphenyl)-2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]thio]acetamide (CHEBI:120781) is a anilide (CHEBI:13248) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32223 | LINCS |