EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H17N3O2S2 |
| Net Charge | 0 |
| Average Mass | 371.487 |
| Monoisotopic Mass | 371.07622 |
| SMILES | COc1ccc(C=NNC(=O)CCSc2nc3ccccc3s2)cc1 |
| InChI | InChI=1S/C18H17N3O2S2/c1-23-14-8-6-13(7-9-14)12-19-21-17(22)10-11-24-18-20-15-4-2-3-5-16(15)25-18/h2-9,12H,10-11H2,1H3,(H,21,22) |
| InChIKey | FZIHFQUVDBUZSG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(1,3-benzothiazol-2-ylthio)-N-[(4-methoxyphenyl)methylideneamino]propanamide (CHEBI:120725) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32167 | LINCS |