3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-1-methyl-urea

Systemtic Name: 3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-1-methyl-urea Openeye Name: 3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-1-methyl-urea CAS Name: 3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentyl]-1-heptyl-1-methylurea IUPAC Name: 3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-1-methylurea Traditional Name: 3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentyl]-1-heptyl-1-methyl-urea Formula: C29H40N4OS MolecularWeight: 492.7191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C)C(=O)NCCCCCSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCN(C)C(=O)NCCCCCSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H40N4OS/c1-3-4-5-6-15-22-33(2)29(34)30-21-14-9-16-23-35-28-31-26(24-17-10-7-11-18-24)27(32-28)25-19-12-8-13-20-25/h7-8,10-13,17-20H,3-6,9,14-16,21-23H2,1-2H3,(H,30,34)(H,31,32)