EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H21N3O2S |
| Net Charge | 0 |
| Average Mass | 355.463 |
| Monoisotopic Mass | 355.13545 |
| SMILES | Cc1ccc(NC(=S)NN=C2CC(C)(C)Oc3ccc(O)cc32)cc1 |
| InChI | InChI=1S/C19H21N3O2S/c1-12-4-6-13(7-5-12)20-18(25)22-21-16-11-19(2,3)24-17-9-8-14(23)10-15(16)17/h4-10,23H,11H2,1-3H3,(H2,20,22,25) |
| InChIKey | RBSSRAAZZZALGM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ylidene)amino]-3-(4-methylphenyl)thiourea (CHEBI:121763) is a 1-benzopyran (CHEBI:38443) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33206 | LINCS |