2-(4-chlorophenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butan-1-one Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butan-1-one CAS Name: 2-[(4-chlorophenyl)thio]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butan-1-one Traditional Name: 2-[(4-chlorophenyl)thio]-1-[4-(2,3-dimethylphenyl)piperazino]butan-1-one Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C2=CC=CC(=C2C)C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C2=CC=CC(=C2C)C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2OS/c1-4-21(27-19-10-8-18(23)9-11-19)22(26)25-14-12-24(13-15-25)20-7-5-6-16(2)17(20)3/h5-11,21H,4,12-15H2,1-3H3