2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[4-[4-(methylthio)benzyl]piperazino]-N-(4-nitrophenyl)acetamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3S/c1-28-19-8-2-16(3-9-19)14-22-10-12-23(13-11-22)15-20(25)21-17-4-6-18(7-5-17)24(26)27/h2-9H,10-15H2,1H3,(H,21,25)