EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H26N4O4S |
| Net Charge | 0 |
| Average Mass | 454.552 |
| Monoisotopic Mass | 454.16748 |
| SMILES | CCn1c(COc2ccccc2C)nnc1SCC(=O)CC(=O)Nc1ccccc1OC |
| InChI | InChI=1S/C23H26N4O4S/c1-4-27-21(14-31-19-11-7-5-9-16(19)2)25-26-23(27)32-15-17(28)13-22(29)24-18-10-6-8-12-20(18)30-3/h5-12H,4,13-15H2,1-3H3,(H,24,29) |
| InChIKey | LLBBTLGUGWSSDT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)-3-oxobutanamide (CHEBI:105195) is a anilide (CHEBI:13248) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16558 | LINCS |