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

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-16-4-9-20(14-17(16)2)26-15-21(24)23-12-10-22(11-13-23)18-5-7-19(25-3)8-6-18/h4-9,14H,10-13,15H2,1-3H3