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

Systemtic Name: N-(3-methylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(3-methylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-[4-(methylthio)benzyl]piperazino]-N-(m-tolyl)acetamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H27N3OS/c1-17-4-3-5-19(14-17)22-21(25)16-24-12-10-23(11-13-24)15-18-6-8-20(26-2)9-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)