(2S)-2-[(4-bromophenyl)methylsulfanyl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-[(4-bromophenyl)methylsulfanyl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-2-[(4-bromophenyl)methylsulfanyl]-1-[4-(m-tolyl)piperazin-1-yl]propan-1-one CAS Name: (2S)-2-[(4-bromophenyl)methylthio]-1-[4-(3-methylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-[(4-bromophenyl)methylsulfanyl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one Traditional Name: (2S)-2-[(4-bromobenzyl)thio]-1-[4-(m-tolyl)piperazino]propan-1-one Formula: C21H25BrN2OS MolecularWeight: 433.405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)[C@H](C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2OS/c1-16-4-3-5-20(14-16)23-10-12-24(13-11-23)21(25)17(2)26-15-18-6-8-19(22)9-7-18/h3-9,14,17H,10-13,15H2,1-2H3/t17-/m0/s1