1-[4-(diphenylmethyl)piperazin-1-yl]-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-butan-1-one

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-butan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-butan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-4-[[1-ethyl-4,5-bis(4-methoxyphenyl)-2-imidazolyl]thio]-1-butanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanylbutan-1-one Traditional Name: 1-(4-benzhydrylpiperazino)-4-[[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]thio]butan-1-one Formula: C40H44N4O3S MolecularWeight: 660.86736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC

Isomeric SMILES

CCN1C(=C(N=C1SCCCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC

InChI

InChI=1S/C40H44N4O3S/c1-4-44-39(33-19-23-35(47-3)24-20-33)37(30-17-21-34(46-2)22-18-30)41-40(44)48-29-11-16-36(45)42-25-27-43(28-26-42)38(31-12-7-5-8-13-31)32-14-9-6-10-15-32/h5-10,12-15,17-24,38H,4,11,16,25-29H2,1-3H3