EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H17N3O4S |
| Net Charge | 0 |
| Average Mass | 371.418 |
| Monoisotopic Mass | 371.09398 |
| SMILES | COc1ccc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2c1 |
| InChI | InChI=1S/C18H17N3O4S/c1-23-12-3-4-13-14(9-12)21-18(20-13)26-10-17(22)19-11-2-5-15-16(8-11)25-7-6-24-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,22)(H,20,21) |
| InChIKey | UDKHFRSECDGNEQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide (CHEBI:107343) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18697 | LINCS |