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CHEBI:116462 - N-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-phenyl-1-piperazinecarbothioamide

ChEBI IDCHEBI:116462
ChEBI NameN-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-phenyl-1-piperazinecarbothioamide
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DownloadsMolfile
FormulaC27H28N4O3S
Net Charge0
Average Mass488.613
Monoisotopic Mass488.18821
SMILESCc1ccc(N2C(=O)C3C4C=CC(CNC(=S)N5CCN(c6ccccc6)CC5)(O4)C3C2=O)cc1
InChIInChI=1S/C27H28N4O3S/c1-18-7-9-20(10-8-18)31-24(32)22-21-11-12-27(34-21,23(22)25(31)33)17-28-26(35)30-15-13-29(14-16-30)19-5-3-2-4-6-19/h2-12,21-23H,13-17H2,1H3,(H,28,35)
InChIKeyZJKFYWVWCGMLAO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-phenyl-1-piperazinecarbothioamide (CHEBI:116462) has functional parent δ-amino acid (CHEBI:35931)
N-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-phenyl-1-piperazinecarbothioamide (CHEBI:116462) is a organonitrogen compound (CHEBI:35352)
N-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]-4-phenyl-1-piperazinecarbothioamide (CHEBI:116462) is a organooxygen compound (CHEBI:36963)
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