1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(1,4,5-triphenylimidazol-2-yl)sulfanyl-pentan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(1,4,5-triphenylimidazol-2-yl)sulfanyl-pentan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(1,4,5-triphenylimidazol-2-yl)sulfanyl-pentan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-[(1,4,5-triphenyl-2-imidazolyl)thio]-1-pentanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(1,4,5-triphenylimidazol-2-yl)sulfanylpentan-1-one Traditional Name: 1-(4-piperonylpiperazino)-5-[(1,4,5-triphenylimidazol-2-yl)thio]pentan-1-one Formula: C38H38N4O3S MolecularWeight: 630.79832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCSC4=NC(=C(N4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCSC4=NC(=C(N4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C38H38N4O3S/c43-35(41-23-21-40(22-24-41)27-29-19-20-33-34(26-29)45-28-44-33)18-10-11-25-46-38-39-36(30-12-4-1-5-13-30)37(31-14-6-2-7-15-31)42(38)32-16-8-3-9-17-32/h1-9,12-17,19-20,26H,10-11,18,21-25,27-28H2