EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H21N5O3S |
| Net Charge | 0 |
| Average Mass | 387.465 |
| Monoisotopic Mass | 387.13651 |
| SMILES | CC1CCN(c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2[N+](=O)[O-])CC1 |
| InChI | InChI=1S/C18H21N5O3S/c1-11-6-8-22(9-7-11)14-5-4-13(10-15(14)23(25)26)16(24)19-18-21-20-17(27-18)12-2-3-12/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,21,24) |
| InChIKey | ZZCCRPWAWNJPJW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide (CHEBI:112189) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23601 | LINCS |