EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H27N3O2S |
| Net Charge | 0 |
| Average Mass | 337.489 |
| Monoisotopic Mass | 337.18240 |
| SMILES | CCN(CC1COc2ccccc2O1)C(=S)NCCCN(C)C |
| InChI | InChI=1S/C17H27N3O2S/c1-4-20(17(23)18-10-7-11-19(2)3)12-14-13-21-15-8-5-6-9-16(15)22-14/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H,18,23) |
| InChIKey | PRDJXTKRRPZPCN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(dimethylamino)propyl]-1-ethylthiourea (CHEBI:117239) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28688 | LINCS |