EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H17BrN2O2S |
| Net Charge | 0 |
| Average Mass | 345.262 |
| Monoisotopic Mass | 344.01941 |
| SMILES | COc1ccc(C(=O)NC(=S)NC(C)(C)C)cc1Br |
| InChI | InChI=1S/C13H17BrN2O2S/c1-13(2,3)16-12(19)15-11(17)8-5-6-10(18-4)9(14)7-8/h5-7H,1-4H3,(H2,15,16,17,19) |
| InChIKey | HAKCQNFJULULCS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-bromo-N-[(tert-butylamino)-sulfanylidenemethyl]-4-methoxybenzamide (CHEBI:122188) is a carbonyl compound (CHEBI:36586) |
| 3-bromo-N-[(tert-butylamino)-sulfanylidenemethyl]-4-methoxybenzamide (CHEBI:122188) is a organohalogen compound (CHEBI:17792) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33631 | LINCS |