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

Systemtic Name: 4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-butan-1-one CAS Name: 4-[[1-ethyl-4,5-bis(4-methoxyphenyl)-2-imidazolyl]thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanylbutan-1-one Traditional Name: 1-(4-benzylpiperazino)-4-[[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]thio]butan-1-one Formula: C34H40N4O3S MolecularWeight: 584.7714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC

Isomeric SMILES

CCN1C(=C(N=C1SCCCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC

InChI

InChI=1S/C34H40N4O3S/c1-4-38-33(28-14-18-30(41-3)19-15-28)32(27-12-16-29(40-2)17-13-27)35-34(38)42-24-8-11-31(39)37-22-20-36(21-23-37)25-26-9-6-5-7-10-26/h5-7,9-10,12-19H,4,8,11,20-25H2,1-3H3