N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(4-ethanoylpiperazin-1-yl)ethanamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(4-ethanoylpiperazin-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide CAS Name: 2-(4-acetyl-1-piperazinyl)-N-[4-[(2,5-dimethylphenyl)thio]phenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide Traditional Name: 2-(4-acetylpiperazino)-N-[4-[(2,5-dimethylphenyl)thio]phenyl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C(=O)C

InChI

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