N-(2,6-dimethylphenyl)-2-[4-(4-methylsulfanylphenyl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(4-methylsulfanylphenyl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[4-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[4-(methylthio)benzoyl]piperazino]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-16-5-4-6-17(2)21(16)23-20(26)15-24-11-13-25(14-12-24)22(27)18-7-9-19(28-3)10-8-18/h4-10H,11-15H2,1-3H3,(H,23,26)