N-butyl-4-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanyl-butanamide

Systemtic Name: N-butyl-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-butyl-butanamide CAS Name: N-butyl-4-[(4,5-diphenyl-1-prop-2-enyl-2-imidazolyl)thio]butanamide IUPAC Name: N-butyl-4-(4,5-diphenyl-1-prop-2-enylimidazol-2-yl)sulfanylbutanamide Traditional Name: 4-[(1-allyl-4,5-diphenyl-imidazol-2-yl)thio]-N-butyl-butyramide Formula: C26H31N3OS MolecularWeight: 433.60884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCSC1=NC(=C(N1CC=C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CCCSC1=NC(=C(N1CC=C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H31N3OS/c1-3-5-18-27-23(30)17-12-20-31-26-28-24(21-13-8-6-9-14-21)25(29(26)19-4-2)22-15-10-7-11-16-22/h4,6-11,13-16H,2-3,5,12,17-20H2,1H3,(H,27,30)