EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H34N4OS |
| Net Charge | 0 |
| Average Mass | 402.608 |
| Monoisotopic Mass | 402.24533 |
| SMILES | Cc1cccc(N2CCN(C(=O)CCN3C(=S)NC(C)(C)CC3C)CC2)c1C |
| InChI | InChI=1S/C22H34N4OS/c1-16-7-6-8-19(18(16)3)24-11-13-25(14-12-24)20(27)9-10-26-17(2)15-22(4,5)23-21(26)28/h6-8,17H,9-15H2,1-5H3,(H,23,28) |
| InChIKey | JDNVZZJNIMPBEL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)-1-propanone (CHEBI:107411) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18765 | LINCS |