EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H20N6OS |
| Net Charge | 0 |
| Average Mass | 332.433 |
| Monoisotopic Mass | 332.14193 |
| SMILES | O=C(Cn1nnc2ccccc21)NNC(=S)NC1CCCCC1 |
| InChI | InChI=1S/C15H20N6OS/c22-14(10-21-13-9-5-4-8-12(13)17-20-21)18-19-15(23)16-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,22)(H2,16,19,23) |
| InChIKey | IBPRMHMWTMPCPV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-cyclohexylthiourea (CHEBI:122018) is a benzotriazoles (CHEBI:48912) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33461 | LINCS |