EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N2O2S |
| Net Charge | 0 |
| Average Mass | 352.459 |
| Monoisotopic Mass | 352.12455 |
| SMILES | CC(=O)c1cc(-c2ccccc2)n(CC(=O)NCc2cccs2)c1C |
| InChI | InChI=1S/C20H20N2O2S/c1-14-18(15(2)23)11-19(16-7-4-3-5-8-16)22(14)13-20(24)21-12-17-9-6-10-25-17/h3-11H,12-13H2,1-2H3,(H,21,24) |
| InChIKey | QILRSGZKTDWJQU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(3-acetyl-2-methyl-5-phenyl-1-pyrrolyl)-N-(thiophen-2-ylmethyl)acetamide (CHEBI:109117) is a pyrroles (CHEBI:26455) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20515 | LINCS |