1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(2,5-dimethoxybenzyl)piperazino]-2-(phenylthio)ethanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-25-18-8-9-20(26-2)17(14-18)15-22-10-12-23(13-11-22)21(24)16-27-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3