EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H22N4O3S |
| Net Charge | 0 |
| Average Mass | 386.477 |
| Monoisotopic Mass | 386.14126 |
| SMILES | COc1cc(C=NNC(N)=S)ccc1OCC(=O)Nc1ccc(C)c(C)c1 |
| InChI | InChI=1S/C19H22N4O3S/c1-12-4-6-15(8-13(12)2)22-18(24)11-26-16-7-5-14(9-17(16)25-3)10-21-23-19(20)27/h4-10H,11H2,1-3H3,(H,22,24)(H3,20,23,27) |
| InChIKey | CSTULWDXJNUOOL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide (CHEBI:107602) is a anilide (CHEBI:13248) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18958 | LINCS |