2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(3-bromobenzyl)piperazino]-N-[3-(methylthio)phenyl]acetamide Formula: C20H24BrN3OS MolecularWeight: 434.39306

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H24BrN3OS/c1-26-19-7-3-6-18(13-19)22-20(25)15-24-10-8-23(9-11-24)14-16-4-2-5-17(21)12-16/h2-7,12-13H,8-11,14-15H2,1H3,(H,22,25)