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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(4-chlorophenyl)thio]-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylpropan-1-one Traditional Name: 2-[(4-chlorophenyl)thio]-1-(4-piperonylpiperazino)propan-1-one Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN2O3S/c1-15(28-18-5-3-17(22)4-6-18)21(25)24-10-8-23(9-11-24)13-16-2-7-19-20(12-16)27-14-26-19/h2-7,12,15H,8-11,13-14H2,1H3