2-(4-methoxyphenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4-methoxyphenyl)sulfanyl-propan-1-one CAS Name: 2-[(4-methoxyphenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-methoxyphenyl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(4-methoxyphenyl)thio]propan-1-one Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O2S/c1-17(26-20-10-8-19(25-2)9-11-20)21(24)23-14-12-22(13-15-23)16-18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3