2-(4-chlorophenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one CAS Name: 2-[(4-chlorophenyl)thio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one Traditional Name: 2-[(4-chlorophenyl)thio]-1-[4-(4-methoxyphenyl)piperazino]butan-1-one Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-3-20(27-19-10-4-16(22)5-11-19)21(25)24-14-12-23(13-15-24)17-6-8-18(26-2)9-7-17/h4-11,20H,3,12-15H2,1-2H3