1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanyl-pentan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(4,5-diphenyl-1-prop-2-enyl-imidazol-2-yl)sulfanyl-pentan-1-one Openeye Name: 5-(1-allyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pentan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-[(4,5-diphenyl-1-prop-2-enyl-2-imidazolyl)thio]-1-pentanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-(4,5-diphenyl-1-prop-2-enylimidazol-2-yl)sulfanylpentan-1-one Traditional Name: 5-[(1-allyl-4,5-diphenyl-imidazol-2-yl)thio]-1-(4-piperonylpiperazino)pentan-1-one Formula: C35H38N4O3S MolecularWeight: 594.76622

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(N=C1SCCCCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C=CCN1C(=C(N=C1SCCCCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H38N4O3S/c1-2-18-39-34(29-13-7-4-8-14-29)33(28-11-5-3-6-12-28)36-35(39)43-23-10-9-15-32(40)38-21-19-37(20-22-38)25-27-16-17-30-31(24-27)42-26-41-30/h2-8,11-14,16-17,24H,1,9-10,15,18-23,25-26H2