EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H25NO3S |
| Net Charge | 0 |
| Average Mass | 359.491 |
| Monoisotopic Mass | 359.15551 |
| SMILES | COc1ccc(CCNC(=O)C(C)Sc2ccc(C)cc2)cc1OC |
| InChI | InChI=1S/C20H25NO3S/c1-14-5-8-17(9-6-14)25-15(2)20(22)21-12-11-16-7-10-18(23-3)19(13-16)24-4/h5-10,13,15H,11-12H2,1-4H3,(H,21,22) |
| InChIKey | HTOWLYWHZWNCJR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methylphenyl)thio]propanamide (CHEBI:114430) is a dimethoxybenzene (CHEBI:51681) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25891 | LINCS |