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CHEBI:123371 - 1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone

ChEBI IDCHEBI:123371
ChEBI Name1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone
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DownloadsMolfile
FormulaC15H21NO2S
Net Charge0
Average Mass279.405
Monoisotopic Mass279.12930
SMILESCOc1cc(SC)ccc1C(=O)N1CCCCCC1
InChIInChI=1S/C15H21NO2S/c1-18-14-11-12(19-2)7-8-13(14)15(17)16-9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyCCHNNQACJOGRSX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone (CHEBI:123371) is a carbonyl compound (CHEBI:36586)
1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone (CHEBI:123371) is a thiol (CHEBI:29256)
Manual XrefsDatabases
LSM-34813LINCS