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

Systemtic Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]ethanone Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)CSCC3=CC=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)CSCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H30N2O3S/c1-18-13-21(27-2)22(28-3)14-20(18)15-24-9-11-25(12-10-24)23(26)17-29-16-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15-17H2,1-3H3