EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H16N2O2S |
| Net Charge | 0 |
| Average Mass | 252.339 |
| Monoisotopic Mass | 252.09325 |
| SMILES | Cc1ccc(NC(=O)CSCC(N)=O)cc1C |
| InChI | InChI=1S/C12H16N2O2S/c1-8-3-4-10(5-9(8)2)14-12(16)7-17-6-11(13)15/h3-5H,6-7H2,1-2H3,(H2,13,15)(H,14,16) |
| InChIKey | AKHAZTNCFSWKCN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]acetamide (CHEBI:116888) is a anilide (CHEBI:13248) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28339 | LINCS |