CHEBI:107111 - 1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea

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ChEBI Name 1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea
ChEBI ID CHEBI:107111
Stars This entity has been manually annotated by a third party.
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Formula C23H20ClN3O3S
Net Charge 0
Average Mass 453.943
Monoisotopic Mass 453.09139
InChI InChI=1S/C23H20ClN3O3S/c1-13-5-7-16(8-6-13)27-20(28)18-17-9-10-23(30-17,19(18)21(27)29)12-25-22(31)26-15-4-2-3-14(24)11-15/h2-11,17-19H,12H2,1H3,(H2,25,26,31)
InChIKey VRENHHWLKYOLMR-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)(O4)CNC(=S)NC5=CC(=CC=C5)Cl
ChEBI Ontology
Outgoing 1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea (CHEBI:107111) has functional parent δ-amino acid (CHEBI:35931)
1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea (CHEBI:107111) is a organonitrogen compound (CHEBI:35352)
1-(3-chlorophenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea (CHEBI:107111) is a organooxygen compound (CHEBI:36963)
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