EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H16N2O2S |
| Net Charge | 0 |
| Average Mass | 300.383 |
| Monoisotopic Mass | 300.09325 |
| SMILES | Cc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 |
| InChI | InChI=1S/C16H16N2O2S/c1-11-2-5-13(6-3-11)18-16(21)17-9-12-4-7-14-15(8-12)20-10-19-14/h2-8H,9-10H2,1H3,(H2,17,18,21) |
| InChIKey | YHPFMNQEQIJIQS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)thiourea (CHEBI:112267) is a thioureas (CHEBI:51276) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23679 | LINCS |