1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-4-[4-(methylthio)phenyl]butane-1,4-dione Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H26N2O3S/c1-27-19-7-5-18(6-8-19)23-13-15-24(16-14-23)22(26)12-11-21(25)17-3-9-20(28-2)10-4-17/h3-10H,11-16H2,1-2H3