EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H21N3O2S |
| Net Charge | 0 |
| Average Mass | 331.441 |
| Monoisotopic Mass | 331.13545 |
| SMILES | CCOc1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1 |
| InChI | InChI=1S/C17H21N3O2S/c1-2-22-14-5-3-12(4-6-14)15-11-23-17(19-15)20-9-7-13(8-10-20)16(18)21/h3-6,11,13H,2,7-10H2,1H3,(H2,18,21) |
| InChIKey | WEJPRZJLYZIEPW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[4-(4-ethoxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide (CHEBI:92325) is a piperidinecarboxamide (CHEBI:48592) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2393 | LINCS |