EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H18N2OS |
| Net Charge | 0 |
| Average Mass | 250.367 |
| Monoisotopic Mass | 250.11398 |
| SMILES | COc1ccc(C(=S)N2CCN(C)CC2)cc1 |
| InChI | InChI=1S/C13H18N2OS/c1-14-7-9-15(10-8-14)13(17)11-3-5-12(16-2)6-4-11/h3-6H,7-10H2,1-2H3 |
| InChIKey | ZQLVMFDFVBMDIK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (4-methoxyphenyl)-(4-methyl-1-piperazinyl)methanethione (CHEBI:105991) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17352 | LINCS |