2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-[[2-(tert-butylthio)phenyl]methyl]-1-piperazinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-[2-(tert-butylthio)benzyl]piperazino]-N-(3-nitrophenyl)acetamide Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O3S/c1-23(2,3)31-21-10-5-4-7-18(21)16-25-11-13-26(14-12-25)17-22(28)24-19-8-6-9-20(15-19)27(29)30/h4-10,15H,11-14,16-17H2,1-3H3,(H,24,28)