N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-4-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanyl-butanamide

Systemtic Name: N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-4-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanyl-butanamide Openeye Name: 4-(1-allyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)butanamide CAS Name: N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-4-[(4,5-diphenyl-1-prop-2-enyl-2-imidazolyl)thio]butanamide IUPAC Name: N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)-4-(4,5-diphenyl-1-prop-2-enylimidazol-2-yl)sulfanylbutanamide Traditional Name: 4-[(1-allyl-4,5-diphenyl-imidazol-2-yl)thio]-N-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)butyramide Formula: C34H37N3O3S MolecularWeight: 567.74088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2)NC(=O)CCCSC3=NC(=C(N3CC=C)C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1(OCC(C(O1)C2=CC=CC=C2)NC(=O)CCCSC3=NC(=C(N3CC=C)C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C34H37N3O3S/c1-4-22-37-31(26-17-10-6-11-18-26)30(25-15-8-5-9-16-25)36-33(37)41-23-14-21-29(38)35-28-24-39-34(2,3)40-32(28)27-19-12-7-13-20-27/h4-13,15-20,28,32H,1,14,21-24H2,2-3H3,(H,35,38)