EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H16N2OS2 |
| Net Charge | 0 |
| Average Mass | 292.429 |
| Monoisotopic Mass | 292.07041 |
| SMILES | O=C1CCCCCN1CSc1nc2ccccc2s1 |
| InChI | InChI=1S/C14H16N2OS2/c17-13-8-2-1-5-9-16(13)10-18-14-15-11-6-3-4-7-12(11)19-14/h3-4,6-7H,1-2,5,8-10H2 |
| InChIKey | KRMYPFNABQFRFT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(1,3-benzothiazol-2-ylthio)methyl]-2-azepanone (CHEBI:114380) is a benzothiazoles (CHEBI:37947) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25840 | LINCS |