EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H22N4OS |
| Net Charge | 0 |
| Average Mass | 330.457 |
| Monoisotopic Mass | 330.15143 |
| SMILES | CN(C)c1cccc(-c2cnc(N3CCC(C(N)=O)CC3)s2)c1 |
| InChI | InChI=1S/C17H22N4OS/c1-20(2)14-5-3-4-13(10-14)15-11-19-17(23-15)21-8-6-12(7-9-21)16(18)22/h3-5,10-12H,6-9H2,1-2H3,(H2,18,22) |
| InChIKey | QSIYOOLBRHGSSD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[5-[3-(dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide (CHEBI:93502) is a piperidinecarboxamide (CHEBI:48592) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3924 | LINCS |