EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H22N6O2S2 |
| Net Charge | 0 |
| Average Mass | 418.548 |
| Monoisotopic Mass | 418.12457 |
| SMILES | CCOc1ccc2nc(NC(=O)CSc3nnnn3C3CCCCC3)sc2c1 |
| InChI | InChI=1S/C18H22N6O2S2/c1-2-26-13-8-9-14-15(10-13)28-17(19-14)20-16(25)11-27-18-21-22-23-24(18)12-6-4-3-5-7-12/h8-10,12H,2-7,11H2,1H3,(H,19,20,25) |
| InChIKey | MTAVMRDIGKGDCV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(1-cyclohexyl-5-tetrazolyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide (CHEBI:120737) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32179 | LINCS |