EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H21N3O2S |
| Net Charge | 0 |
| Average Mass | 319.430 |
| Monoisotopic Mass | 319.13545 |
| SMILES | CCOc1ccc2nc(NC(=O)NC3CCCCC3)sc2c1 |
| InChI | InChI=1S/C16H21N3O2S/c1-2-21-12-8-9-13-14(10-12)22-16(18-13)19-15(20)17-11-6-4-3-5-7-11/h8-11H,2-7H2,1H3,(H2,17,18,19,20) |
| InChIKey | QKSMMTXJKVNQMY-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea (CHEBI:119784) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31228 | LINCS |