2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-1-(3-methyl-4-phenyl-piperazin-1-yl)propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC=C2)C(=O)C(C)(C)SCC3=CC=CC=C3Cl

Isomeric SMILES

CC1CN(CCN1C2=CC=CC=C2)C(=O)C(C)(C)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C22H27ClN2OS/c1-17-15-24(13-14-25(17)19-10-5-4-6-11-19)21(26)22(2,3)27-16-18-9-7-8-12-20(18)23/h4-12,17H,13-16H2,1-3H3