N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-[(1,4,5-triphenyl-2-imidazolyl)thio]butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutanamide Traditional Name: N-homoveratryl-N-methyl-4-[(1,4,5-triphenylimidazol-2-yl)thio]butyramide Formula: C36H37N3O3S MolecularWeight: 591.76228

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCCSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCCSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H37N3O3S/c1-38(24-23-27-21-22-31(41-2)32(26-27)42-3)33(40)20-13-25-43-36-37-34(28-14-7-4-8-15-28)35(29-16-9-5-10-17-29)39(36)30-18-11-6-12-19-30/h4-12,14-19,21-22,26H,13,20,23-25H2,1-3H3