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

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-methoxy-5-methylphenyl)methylthio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2-methoxy-5-methyl-benzyl)thio]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O3S/c1-17-4-9-21(27-3)18(14-17)15-28-16-22(25)24-12-10-23(11-13-24)19-5-7-20(26-2)8-6-19/h4-9,14H,10-13,15-16H2,1-3H3