EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20N2O3S |
| Net Charge | 0 |
| Average Mass | 344.436 |
| Monoisotopic Mass | 344.11946 |
| SMILES | COc1cc(NC(=S)NC(=O)CCc2ccccc2)cc(OC)c1 |
| InChI | InChI=1S/C18H20N2O3S/c1-22-15-10-14(11-16(12-15)23-2)19-18(24)20-17(21)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H2,19,20,21,24) |
| InChIKey | PUHTZCALJKETCU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3,5-dimethoxyanilino)-sulfanylidenemethyl]-3-phenylpropanamide (CHEBI:123266) is a thioureas (CHEBI:51276) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34708 | LINCS |