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

Systemtic Name: N-(4-ethanoylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[4-[4-(methylthio)benzyl]piperazino]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-17(26)19-5-7-20(8-6-19)23-22(27)16-25-13-11-24(12-14-25)15-18-3-9-21(28-2)10-4-18/h3-10H,11-16H2,1-2H3,(H,23,27)