2-(3,4-dimethylphenyl)sulfanyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-[(3,4-dimethylphenyl)thio]-1-(4-p-anisylpiperazino)ethanone Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H28N2O2S/c1-17-4-9-21(14-18(17)2)27-16-22(25)24-12-10-23(11-13-24)15-19-5-7-20(26-3)8-6-19/h4-9,14H,10-13,15-16H2,1-3H3