3-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(4-chlorophenyl)methylthio]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(4-chlorobenzyl)thio]-1-[4-(2,3-dimethylphenyl)piperazino]propan-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)CCSCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCSCC3=CC=C(C=C3)Cl)C

InChI

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