EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H17N3O5S2 |
| Net Charge | 0 |
| Average Mass | 431.495 |
| Monoisotopic Mass | 431.06096 |
| SMILES | COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)c1 |
| InChI | InChI=1S/C19H17N3O5S2/c1-26-13-5-8-17(27-2)15(9-13)16-10-29-19(20-16)21-18(23)11-28-14-6-3-12(4-7-14)22(24)25/h3-10H,11H2,1-2H3,(H,20,21,23) |
| InChIKey | UIIUXXJFXUPLSK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-2-[(4-nitrophenyl)thio]acetamide (CHEBI:117156) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28605 | LINCS |