2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[2-(tert-butylthio)phenyl]methyl]-1-piperazinyl]-N-phenylacetamide IUPAC Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-(tert-butylthio)benzyl]piperazino]-N-phenyl-acetamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H31N3OS/c1-23(2,3)28-21-12-8-7-9-19(21)17-25-13-15-26(16-14-25)18-22(27)24-20-10-5-4-6-11-20/h4-12H,13-18H2,1-3H3,(H,24,27)