EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H25N3S |
| Net Charge | 0 |
| Average Mass | 339.508 |
| Monoisotopic Mass | 339.17692 |
| SMILES | Cc1ccc(NC(=S)N2CCN(Cc3ccccc3)CC2)c(C)c1 |
| InChI | InChI=1S/C20H25N3S/c1-16-8-9-19(17(2)14-16)21-20(24)23-12-10-22(11-13-23)15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,21,24) |
| InChIKey | BUBMOMNOVFVHTB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2,4-dimethylphenyl)-4-(phenylmethyl)-1-piperazinecarbothioamide (CHEBI:105341) is a thioureas (CHEBI:51276) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16704 | LINCS |