EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:112676 - N-[4-(difluoromethylthio)phenyl]-5-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-2-imino-3-pyrancarboxamide

ChEBI IDCHEBI:112676
ChEBI NameN-[4-(difluoromethylthio)phenyl]-5-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-2-imino-3-pyrancarboxamide
Stars
DownloadsMolfile
FormulaC21H16F2N2O5S
Net Charge0
Average Mass446.431
Monoisotopic Mass446.07480
SMILESCOc1ccc(O)c(C(=O)c2coc(=N)c(C(=O)Nc3ccc(SC(F)F)cc3)c2)c1
InChIInChI=1S/C21H16F2N2O5S/c1-29-13-4-7-17(26)15(9-13)18(27)11-8-16(19(24)30-10-11)20(28)25-12-2-5-14(6-3-12)31-21(22)23/h2-10,21,24,26H,1H3,(H,25,28)
InChIKeyJOLCWSYBUSOJKF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[4-(difluoromethylthio)phenyl]-5-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-2-imino-3-pyrancarboxamide (CHEBI:112676) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-24086LINCS