EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H20N2O3S |
| Net Charge | 0 |
| Average Mass | 332.425 |
| Monoisotopic Mass | 332.11946 |
| SMILES | COc1cc(C=C2SC(N3CCC(C)CC3)=NC2=O)ccc1O |
| InChI | InChI=1S/C17H20N2O3S/c1-11-5-7-19(8-6-11)17-18-16(21)15(23-17)10-12-3-4-13(20)14(9-12)22-2/h3-4,9-11,20H,5-8H2,1-2H3 |
| InChIKey | MYJYNGIQDJFHMW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methyl-1-piperidinyl)-4-thiazolone (CHEBI:113221) is a methoxybenzenes (CHEBI:51683) |
| 5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methyl-1-piperidinyl)-4-thiazolone (CHEBI:113221) is a phenols (CHEBI:33853) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24632 | LINCS |