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

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-[4-(4-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-(4-pyridin-4-yl-1-piperazinyl)ethanone IUPAC Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4,5-dimethoxy-2-methyl-benzyl)thio]-1-[4-(4-pyridyl)piperazino]ethanone Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)N2CCN(CC2)C3=CC=NC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)N2CCN(CC2)C3=CC=NC=C3)OC)OC

InChI

InChI=1S/C21H27N3O3S/c1-16-12-19(26-2)20(27-3)13-17(16)14-28-15-21(25)24-10-8-23(9-11-24)18-4-6-22-7-5-18/h4-7,12-13H,8-11,14-15H2,1-3H3