EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H24N2O3S |
| Net Charge | 0 |
| Average Mass | 408.523 |
| Monoisotopic Mass | 408.15076 |
| SMILES | COc1ccc(-n2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)cc1 |
| InChI | InChI=1S/C23H24N2O3S/c1-15-13-22(16(2)25(15)19-7-9-20(28-4)10-8-19)23(27)14-29-21-11-5-18(6-12-21)24-17(3)26/h5-13H,14H2,1-4H3,(H,24,26) |
| InChIKey | TZKOVSFOMCKHCS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[4-[[2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamide (CHEBI:116993) is a pyrroles (CHEBI:26455) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28441 | LINCS |