EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H25F2N3O4S |
| Net Charge | 0 |
| Average Mass | 465.522 |
| Monoisotopic Mass | 465.15338 |
| SMILES | CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCCOC |
| InChI | InChI=1S/C22H25F2N3O4S/c1-3-4-10-26-19(28)16(14-25)21-27(11-7-12-30-2)20(29)18(32-21)13-15-8-5-6-9-17(15)31-22(23)24/h5-6,8-9,13,22H,3-4,7,10-12H2,1-2H3,(H,26,28) |
| InChIKey | SSWVXUHRIZUHRC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-butyl-2-cyano-2-[5-[[2-(difluoromethoxy)phenyl]methylidene]-3-(3-methoxypropyl)-4-oxo-2-thiazolidinylidene]acetamide (CHEBI:121079) is a aromatic ether (CHEBI:35618) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32522 | LINCS |