2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-propan-1-one CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)sulfanylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(3,4-dimethoxyphenyl)thio]propan-1-one Formula: C22H28N2O3S MolecularWeight: 400.53432

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-17(28-19-9-10-20(26-2)21(15-19)27-3)22(25)24-13-11-23(12-14-24)16-18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3