EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H19N3O3S |
| Net Charge | 0 |
| Average Mass | 357.435 |
| Monoisotopic Mass | 357.11471 |
| SMILES | CCOc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)cc1 |
| InChI | InChI=1S/C18H19N3O3S/c1-3-24-14-7-4-12(5-8-14)19-18(23)20-13-6-9-16-15(10-13)21(2)17(22)11-25-16/h4-10H,3,11H2,1-2H3,(H2,19,20,23) |
| InChIKey | ZTGKFWXUZVCBAW-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-ethoxyphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)urea (CHEBI:107910) is a benzothiazine (CHEBI:46899) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19287 | LINCS |