4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-(p-tolyl)thiazole CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-2-(4-methylphenyl)thiazole IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole Traditional Name: 4-[(4-piperonylpiperazino)methyl]-2-(p-tolyl)thiazole Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O2S/c1-17-2-5-19(6-3-17)23-24-20(15-29-23)14-26-10-8-25(9-11-26)13-18-4-7-21-22(12-18)28-16-27-21/h2-7,12,15H,8-11,13-14,16H2,1H3