EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17N3O2S |
| Net Charge | 0 |
| Average Mass | 315.398 |
| Monoisotopic Mass | 315.10415 |
| SMILES | Cc1ccc(CNC(=S)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 |
| InChI | InChI=1S/C16H17N3O2S/c1-11-3-6-13(7-4-11)10-17-16(22)18-14-8-5-12(2)15(9-14)19(20)21/h3-9H,10H2,1-2H3,(H2,17,18,22) |
| InChIKey | KCQPVJUGQGNIHG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-methyl-3-nitrophenyl)-3-[(4-methylphenyl)methyl]thiourea (CHEBI:107170) is a thioureas (CHEBI:51276) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18524 | LINCS |