3-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(4-chlorophenyl)methylthio]-1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(4-chlorobenzyl)thio]-1-[4-(2,5-dimethylphenyl)piperazino]propan-1-one Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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