EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H11BrN2O3S |
| Net Charge | 0 |
| Average Mass | 391.246 |
| Monoisotopic Mass | 389.96738 |
| SMILES | O=C(Nc1nc2c(Br)cccc2s1)c1ccc2c(c1)OCCO2 |
| InChI | InChI=1S/C16H11BrN2O3S/c17-10-2-1-3-13-14(10)18-16(23-13)19-15(20)9-4-5-11-12(8-9)22-7-6-21-11/h1-5,8H,6-7H2,(H,18,19,20) |
| InChIKey | MWMPSWOBEJCOBM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(4-bromo-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide (CHEBI:92790) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2995 | LINCS |