N-(2,6-dimethylphenyl)-2-[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[1-oxo-2-(phenylmethylthio)ethyl]-1-piperazinyl]acetamide IUPAC Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-(benzylthio)acetyl]piperazino]-N-(2,6-dimethylphenyl)acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-18-7-6-8-19(2)23(18)24-21(27)15-25-11-13-26(14-12-25)22(28)17-29-16-20-9-4-3-5-10-20/h3-10H,11-17H2,1-2H3,(H,24,27)