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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanyl-butan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-4-[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]sulfanyl-butan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-4-[[1-ethyl-4,5-bis(4-methylphenyl)-2-imidazolyl]thio]-1-butanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutan-1-one Traditional Name: 1-(4-benzhydrylpiperazino)-4-[[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]thio]butan-1-one Formula: C40H44N4OS MolecularWeight: 628.86856

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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)C)C6=CC=C(C=C6)C

Isomeric SMILES

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

InChI

InChI=1S/C40H44N4OS/c1-4-44-39(35-23-19-31(3)20-24-35)37(32-21-17-30(2)18-22-32)41-40(44)46-29-11-16-36(45)42-25-27-43(28-26-42)38(33-12-7-5-8-13-33)34-14-9-6-10-15-34/h5-10,12-15,17-24,38H,4,11,16,25-29H2,1-3H3