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

Systemtic Name: N-(2,4-dimethylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[4-[4-(methylthio)benzyl]piperazino]acetamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-17-4-9-21(18(2)14-17)23-22(26)16-25-12-10-24(11-13-25)15-19-5-7-20(27-3)8-6-19/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26)