EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H22Cl2N4O2S |
| Net Charge | 0 |
| Average Mass | 417.362 |
| Monoisotopic Mass | 416.08405 |
| SMILES | CCC(c1nnc(SCC(=O)NCCc2ccc(Cl)cc2Cl)o1)N(C)C |
| InChI | InChI=1S/C17H22Cl2N4O2S/c1-4-14(23(2)3)16-21-22-17(25-16)26-10-15(24)20-8-7-11-5-6-12(18)9-13(11)19/h5-6,9,14H,4,7-8,10H2,1-3H3,(H,20,24) |
| InChIKey | AVLNBITYSNSDNT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-(2,4-dichlorophenyl)ethyl]-2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]thio]acetamide (CHEBI:117181) is a dichlorobenzene (CHEBI:23697) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28630 | LINCS |