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

Systemtic Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4,5-dimethoxy-2-methyl-benzyl)thio]-1-[4-(4-pyridylmethyl)piperazino]ethanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)N2CCN(CC2)CC3=CC=NC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)N2CCN(CC2)CC3=CC=NC=C3)OC)OC

InChI

InChI=1S/C22H29N3O3S/c1-17-12-20(27-2)21(28-3)13-19(17)15-29-16-22(26)25-10-8-24(9-11-25)14-18-4-6-23-7-5-18/h4-7,12-13H,8-11,14-16H2,1-3H3