1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanyl-butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanyl-butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanyl-butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-[(4,5-diphenyl-1-propyl-2-imidazolyl)thio]-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutan-1-one Traditional Name: 4-[(4,5-diphenyl-1-propyl-imidazol-2-yl)thio]-1-(4-piperonylpiperazino)butan-1-one Formula: C34H38N4O3S MolecularWeight: 582.75552

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCN1C(=C(N=C1SCCCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H38N4O3S/c1-2-17-38-33(28-12-7-4-8-13-28)32(27-10-5-3-6-11-27)35-34(38)42-22-9-14-31(39)37-20-18-36(19-21-37)24-26-15-16-29-30(23-26)41-25-40-29/h3-8,10-13,15-16,23H,2,9,14,17-22,24-25H2,1H3