EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H21N3O2S |
| Net Charge | 0 |
| Average Mass | 355.463 |
| Monoisotopic Mass | 355.13545 |
| SMILES | COc1ccc(NC(=S)N2CCN(C(=O)c3ccccc3)CC2)cc1 |
| InChI | InChI=1S/C19H21N3O2S/c1-24-17-9-7-16(8-10-17)20-19(25)22-13-11-21(12-14-22)18(23)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,25) |
| InChIKey | FLGJWXLAVXGUGC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-benzoyl-N-(4-methoxyphenyl)-1-piperazinecarbothioamide (CHEBI:109725) is a thioureas (CHEBI:51276) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21153 | LINCS |