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

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

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCSC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCSC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H27ClN2OS/c1-17-5-3-6-21(18(17)2)24-12-14-25(15-13-24)22(26)7-4-16-27-20-10-8-19(23)9-11-20/h3,5-6,8-11H,4,7,12-16H2,1-2H3