EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H19N3O4S3 |
| Net Charge | 0 |
| Average Mass | 437.568 |
| Monoisotopic Mass | 437.05377 |
| SMILES | COc1ccc(C=C2SC(=S)N(CCC(=O)NC3=NCCS3)C2=O)cc1OC |
| InChI | InChI=1S/C18H19N3O4S3/c1-24-12-4-3-11(9-13(12)25-2)10-14-16(23)21(18(26)28-14)7-5-15(22)20-17-19-6-8-27-17/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,22) |
| InChIKey | XTEVMDVJWSDMHG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(4,5-dihydrothiazol-2-yl)-3-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanamide (CHEBI:108234) has functional parent β-amino acid (CHEBI:33706) |
| N-(4,5-dihydrothiazol-2-yl)-3-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanamide (CHEBI:108234) is a organonitrogen compound (CHEBI:35352) |
| N-(4,5-dihydrothiazol-2-yl)-3-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanamide (CHEBI:108234) is a organooxygen compound (CHEBI:36963) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19611 | LINCS |