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CHEBI:105805 - 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(1,3-benzothiazol-2-yl)-2-propenenitrile

ChEBI IDCHEBI:105805
ChEBI Name3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(1,3-benzothiazol-2-yl)-2-propenenitrile
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DownloadsMolfile
FormulaC22H20N4O2S
Net Charge0
Average Mass404.495
Monoisotopic Mass404.13070
SMILESN#CC(=CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1nc2ccccc2s1
InChIInChI=1S/C22H20N4O2S/c23-12-17(22-24-18-3-1-2-4-21(18)29-22)14-26-9-7-25(8-10-26)13-16-5-6-19-20(11-16)28-15-27-19/h1-6,11,14H,7-10,13,15H2
InChIKeyBQPBTSDVGARJHD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(1,3-benzothiazol-2-yl)-2-propenenitrile (CHEBI:105805) is a benzothiazoles (CHEBI:37947)
Manual XrefsDatabases
LSM-17166LINCS