EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22ClN3O4S |
| Net Charge | 0 |
| Average Mass | 435.933 |
| Monoisotopic Mass | 435.10195 |
| SMILES | COc1ccc(OCC(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1 |
| InChI | InChI=1S/C20H22ClN3O4S/c1-26-15-3-5-16(6-4-15)28-13-19(25)23-20(29)22-14-2-7-18(17(21)12-14)24-8-10-27-11-9-24/h2-7,12H,8-11,13H2,1H3,(H2,22,23,25,29) |
| InChIKey | UCMOLHKBDUPFHL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2-(4-methoxyphenoxy)acetamide (CHEBI:108228) is a thioureas (CHEBI:51276) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19605 | LINCS |