EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H20ClN3O4S |
| Net Charge | 0 |
| Average Mass | 457.939 |
| Monoisotopic Mass | 457.08630 |
| SMILES | [H]c1c([H])c([H])c([C@]([H])(Oc2c(C(=O)N([H])[H])sc(-n3c([H])nc4c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c([H])c43)c2[H])C([H])([H])[H])c(Cl)c1[H] |
| InChI | InChI=1S/C22H20ClN3O4S/c1-12(13-6-4-5-7-14(13)23)30-19-10-20(31-21(19)22(24)27)26-11-25-15-8-17(28-2)18(29-3)9-16(15)26/h4-12H,1-3H3,(H2,24,27)/t12-/m1/s1 |
| InChIKey | UHCHLTQBLNUYRT-GFCCVEGCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE (CHEBI:47247) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(5,6-dimethoxy-1H-benzimidazol-1-yl)thiophene-2-carboxamide | PDBeChem |
| 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| BLZ | PDBeChem |