N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)thio]butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanamide Traditional Name: 2-[(4,5-diphenyl-1H-imidazol-2-yl)thio]-N-homoveratryl-butyramide Formula: C29H31N3O3S MolecularWeight: 501.63974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O3S/c1-4-25(28(33)30-18-17-20-15-16-23(34-2)24(19-20)35-3)36-29-31-26(21-11-7-5-8-12-21)27(32-29)22-13-9-6-10-14-22/h5-16,19,25H,4,17-18H2,1-3H3,(H,30,33)(H,31,32)