1-[4-[[1-(1-adamantyl)benzimidazol-2-yl]sulfanylmethyl]phenyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[4-[[1-(1-adamantyl)benzimidazol-2-yl]sulfanylmethyl]phenyl]pyrrolidine-2,5-dione Openeye Name: 1-[4-[[1-(1-adamantyl)benzimidazol-2-yl]sulfanylmethyl]phenyl]pyrrolidine-2,5-dione CAS Name: 1-[4-[[[1-(1-adamantyl)-2-benzimidazolyl]thio]methyl]phenyl]pyrrolidine-2,5-dione IUPAC Name: 1-[4-[[1-(1-adamantyl)benzimidazol-2-yl]sulfanylmethyl]phenyl]pyrrolidine-2,5-dione Traditional Name: 1-[4-[[[1-(1-adamantyl)benzimidazol-2-yl]thio]methyl]phenyl]pyrrolidine-2,5-quinone Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CC(=O)N(C1=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H29N3O2S/c32-25-9-10-26(33)30(25)22-7-5-18(6-8-22)17-34-27-29-23-3-1-2-4-24(23)31(27)28-14-19-11-20(15-28)13-21(12-19)16-28/h1-8,19-21H,9-17H2