EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H17BrN2S |
| Net Charge | 0 |
| Average Mass | 301.253 |
| Monoisotopic Mass | 300.02958 |
| SMILES | CC(C)CCNC(=S)Nc1ccc(Br)cc1 |
| InChI | InChI=1S/C12H17BrN2S/c1-9(2)7-8-14-12(16)15-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16) |
| InChIKey | RLFJFXJUHLAJGX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-bromophenyl)-3-(3-methylbutyl)thiourea (CHEBI:116942) is a thioureas (CHEBI:51276) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28391 | LINCS |