1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanone Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-1-[4-(3-chlorobenzyl)piperazino]ethanone Formula: C23H27ClN2O3S MolecularWeight: 446.99008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H27ClN2O3S/c1-17(27)19-6-7-22(29-2)20(13-19)15-30-16-23(28)26-10-8-25(9-11-26)14-18-4-3-5-21(24)12-18/h3-7,12-13H,8-11,14-16H2,1-2H3