1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-methyl-4-(p-tolyl)-3-thienyl]methyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-methyl-4-(4-methylphenyl)-3-thiophenyl]methyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[5-methyl-4-(4-methylphenyl)thiophen-3-yl]methyl]piperazine Traditional Name: 1-[[5-methyl-4-(p-tolyl)-3-thienyl]methyl]-4-piperonyl-piperazine Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H28N2O2S/c1-18-3-6-21(7-4-18)25-19(2)30-16-22(25)15-27-11-9-26(10-12-27)14-20-5-8-23-24(13-20)29-17-28-23/h3-8,13,16H,9-12,14-15,17H2,1-2H3