N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-5-(1,4,5-triphenylimidazol-2-yl)sulfanyl-pentanamide

Systemtic Name: N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-5-(1,4,5-triphenylimidazol-2-yl)sulfanyl-pentanamide Openeye Name: N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-5-(1,4,5-triphenylimidazol-2-yl)sulfanyl-pentanamide CAS Name: N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-5-[(1,4,5-triphenyl-2-imidazolyl)thio]pentanamide IUPAC Name: N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-5-(1,4,5-triphenylimidazol-2-yl)sulfanylpentanamide Traditional Name: N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-5-[(1,4,5-triphenylimidazol-2-yl)thio]valeramide Formula: C38H39N3O3S MolecularWeight: 617.79956

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2)NC(=O)CCCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CC1(OCC(C(O1)C2=CC=CC=C2)NC(=O)CCCCSC3=NC(=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C38H39N3O3S/c1-38(2)43-27-32(36(44-38)30-21-11-5-12-22-30)39-33(42)25-15-16-26-45-37-40-34(28-17-7-3-8-18-28)35(29-19-9-4-10-20-29)41(37)31-23-13-6-14-24-31/h3-14,17-24,32,36H,15-16,25-27H2,1-2H3,(H,39,42)