EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20Cl2N4S |
| Net Charge | 0 |
| Average Mass | 395.359 |
| Monoisotopic Mass | 394.07857 |
| SMILES | Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 |
| InChI | InChI=1S/C18H20Cl2N4S/c1-12-9-13(2)21-17(10-12)22-18(25)24-7-5-23(6-8-24)14-3-4-15(19)16(20)11-14/h3-4,9-11H,5-8H2,1-2H3,(H,21,22,25) |
| InChIKey | XQVZSTCZDSHSJA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(3,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-1-piperazinecarbothioamide (CHEBI:92351) is a piperazines (CHEBI:26144) |
| 4-(3,4-dichlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-1-piperazinecarbothioamide (CHEBI:92351) is a pyridines (CHEBI:26421) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2429 | LINCS |