EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H16N4O2S2 |
| Net Charge | 0 |
| Average Mass | 420.519 |
| Monoisotopic Mass | 420.07147 |
| SMILES | COc1ccc2nc(SCC(=O)Nc3ccc4sc(C)nc4c3)c(C#N)cc2c1 |
| InChI | InChI=1S/C21H16N4O2S2/c1-12-23-18-9-15(3-6-19(18)29-12)24-20(26)11-28-21-14(10-22)7-13-8-16(27-2)4-5-17(13)25-21/h3-9H,11H2,1-2H3,(H,24,26) |
| InChIKey | IYKZPWDGUSLDCE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3-cyano-6-methoxy-2-quinolinyl)thio]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide (CHEBI:120743) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32185 | LINCS |