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CHEBI:105399 - 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(4-chlorophenyl)methylthio]ethanone

ChEBI IDCHEBI:105399
ChEBI Name1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(4-chlorophenyl)methylthio]ethanone
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DownloadsMolfile
FormulaC21H23ClN2O3S
Net Charge0
Average Mass418.946
Monoisotopic Mass418.11179
SMILESO=C(CSCc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C21H23ClN2O3S/c22-18-4-1-16(2-5-18)13-28-14-21(25)24-9-7-23(8-10-24)12-17-3-6-19-20(11-17)27-15-26-19/h1-6,11H,7-10,12-15H2
InChIKeyMUQOHWHUOIKAAC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(4-chlorophenyl)methylthio]ethanone (CHEBI:105399) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-16762LINCS