EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H13N3O4S2 |
| Net Charge | 0 |
| Average Mass | 351.409 |
| Monoisotopic Mass | 351.03475 |
| SMILES | CC(=O)c1cc2c(cc1NC(=O)CSc1nnc(C)s1)OCO2 |
| InChI | InChI=1S/C14H13N3O4S2/c1-7(18)9-3-11-12(21-6-20-11)4-10(9)15-13(19)5-22-14-17-16-8(2)23-14/h3-4H,5-6H2,1-2H3,(H,15,19) |
| InChIKey | KHTCIJIPWGMLEV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetamide (CHEBI:108350) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19726 | LINCS |