2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-[4-(o-tolyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-[4-(2-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4,5-dimethoxy-2-methyl-benzyl)thio]-1-[4-(o-tolyl)piperazino]ethanone Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CSCC3=CC(=C(C=C3C)OC)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CSCC3=CC(=C(C=C3C)OC)OC

InChI

InChI=1S/C23H30N2O3S/c1-17-7-5-6-8-20(17)24-9-11-25(12-10-24)23(26)16-29-15-19-14-22(28-4)21(27-3)13-18(19)2/h5-8,13-14H,9-12,15-16H2,1-4H3