CHEBI:116606 - 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea
ChEBI ID CHEBI:116606
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H23N3O3S
Net Charge 0
Average Mass 433.525
Monoisotopic Mass 433.14601
InChI InChI=1S/C24H23N3O3S/c1-14-3-7-16(8-4-14)26-23(31)25-13-24-12-11-18(30-24)19-20(24)22(29)27(21(19)28)17-9-5-15(2)6-10-17/h3-12,18-20H,13H2,1-2H3,(H2,25,26,31)
InChIKey UAKHLGWRPMSYGS-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)NC(=S)NCC23C=CC(O2)C4C3C(=O)N(C4=O)C5=CC=C(C=C5)C
ChEBI Ontology
Outgoing 1-(4-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea (CHEBI:116606) has functional parent δ-amino acid (CHEBI:35931)
1-(4-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea (CHEBI:116606) is a organonitrogen compound (CHEBI:35352)
1-(4-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]thiourea (CHEBI:116606) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-28061 LINCS
View more database links