2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-2-yl]-N-[(3-methylsulfanylphenyl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxidanylidene-piperazin-2-yl]-N-[(3-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-piperazin-2-yl]-N-[(3-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[[3-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-neopentyl-piperazin-2-yl]-N-[3-(methylthio)benzyl]acetamide Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCNC(=O)C1CC(=O)NCC2=CC(=CC=C2)SC

Isomeric SMILES

CC(C)(C)CN1CCNC(=O)[C@H]1CC(=O)NCC2=CC(=CC=C2)SC

InChI

InChI=1S/C19H29N3O2S/c1-19(2,3)13-22-9-8-20-18(24)16(22)11-17(23)21-12-14-6-5-7-15(10-14)25-4/h5-7,10,16H,8-9,11-13H2,1-4H3,(H,20,24)(H,21,23)/t16-/m1/s1