CHEBI:107788 - 2-(1H-benzimidazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyl-3-oxohexanenitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(1H-benzimidazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyl-3-oxohexanenitrile
ChEBI ID CHEBI:107788
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H18N4O3S
Net Charge 0
Average Mass 418.470
Monoisotopic Mass 418.10996
InChI InChI=1S/C22H18N4O3S/c1-30-11-10-18(26-21(28)13-6-2-3-7-14(13)22(26)29)19(27)15(12-23)20-24-16-8-4-5-9-17(16)25-20/h2-9,15,18H,10-11H2,1H3,(H,24,25)
InChIKey NCIAEHGOBWMUEE-UHFFFAOYSA-N
SMILES CSCCC(C(=O)C(C#N)C1=NC2=CC=CC=C2N1)N3C(=O)C4=CC=CC=C4C3=O
ChEBI Ontology
Outgoing 2-(1H-benzimidazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyl-3-oxohexanenitrile (CHEBI:107788) is a phthalimides (CHEBI:82851)
Manual Xref Database
LSM-19165 LINCS
View more database links