EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H19ClN2O2S |
| Net Charge | 0 |
| Average Mass | 350.871 |
| Monoisotopic Mass | 350.08558 |
| SMILES | [H]/C(=N\OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])c1c([H])c(N([H])C(=S)c2c(C([H])([H])[H])oc([H])c2[H])c([H])c([H])c1Cl |
| InChI | InChI=1S/C17H19ClN2O2S/c1-11-14(7-8-21-11)16(23)20-13-5-6-15(18)12(9-13)10-19-22-17(2,3)4/h5-10H,1-4H3,(H,20,23)/b19-10+ |
| InChIKey | PLGIIOKXCKDKEU-VXLYETTFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbothioamide (CHEBI:47715) has functional parent hydroxylamine (CHEBI:15429) |
| N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbothioamide (CHEBI:47715) is a furans (CHEBI:24129) |
| N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbothioamide (CHEBI:47715) is a monochlorobenzenes (CHEBI:83403) |
| N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbothioamide (CHEBI:47715) is a thiocarboxamide (CHEBI:47956) |
| Synonym | Source |
|---|---|
| N-{3-[(E)-(tert-butoxyimino)methyl]-4-chlorophenyl}-2-methylfuran-3-carbothioamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| UC2 | PDBeChem |