1-[4-[4-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylphenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylphenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]sulfanylphenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[[1-(1-imidazolyl)-4-(4-methylphenyl)butan-2-yl]thio]phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[1-imidazol-1-yl-4-(4-methylphenyl)butan-2-yl]sulfanylphenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[1-(imidazol-1-ylmethyl)-3-(p-tolyl)propyl]thio]phenyl]piperazino]ethanone Formula: C26H32N4OS MolecularWeight: 448.62348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C26H32N4OS/c1-21-3-5-23(6-4-21)7-10-26(19-28-14-13-27-20-28)32-25-11-8-24(9-12-25)30-17-15-29(16-18-30)22(2)31/h3-6,8-9,11-14,20,26H,7,10,15-19H2,1-2H3