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CHEBI:111293 - 4-(1H-benzimidazol-2-ylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-butanone

ChEBI IDCHEBI:111293
ChEBI Name4-(1H-benzimidazol-2-ylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-butanone
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FormulaC21H23N5O3S
Net Charge0
Average Mass425.514
Monoisotopic Mass425.15216
SMILESO=C(CCCSc1nc2ccccc2n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C21H23N5O3S/c27-20(6-3-15-30-21-22-18-4-1-2-5-19(18)23-21)25-13-11-24(12-14-25)16-7-9-17(10-8-16)26(28)29/h1-2,4-5,7-10H,3,6,11-15H2,(H,22,23)
InChIKeyIMTLAJUSIIVOOU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(1H-benzimidazol-2-ylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-butanone (CHEBI:111293) is a piperazines (CHEBI:26144)
Manual XrefsDatabases
LSM-22749LINCS