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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanyl-butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanyl-butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-[[4,5-bis(4-methoxyphenyl)-1-propyl-2-imidazolyl]thio]-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylbutan-1-one Traditional Name: 4-[[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]thio]-1-(4-piperonylpiperazino)butan-1-one Formula: C36H42N4O5S MolecularWeight: 642.80748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H42N4O5S/c1-4-17-40-35(28-10-14-30(43-3)15-11-28)34(27-8-12-29(42-2)13-9-27)37-36(40)46-22-5-6-33(41)39-20-18-38(19-21-39)24-26-7-16-31-32(23-26)45-25-44-31/h7-16,23H,4-6,17-22,24-25H2,1-3H3