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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(phenylmethylsulfanyl)propanoyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-(2-benzylsulfanylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[1-oxo-2-(phenylmethylthio)propyl]-1-piperazinyl]acetamide IUPAC Name: 2-[4-(2-benzylsulfanylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-(benzylthio)propanoyl]piperazino]-N-(2,6-dimethylphenyl)acetamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C(C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C(C)SCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2S/c1-18-8-7-9-19(2)23(18)25-22(28)16-26-12-14-27(15-13-26)24(29)20(3)30-17-21-10-5-4-6-11-21/h4-11,20H,12-17H2,1-3H3,(H,25,28)