2-methyl-2-[(4-nitrophenyl)methyl]-N'-[[2-(phenylmethylsulfanyl)pyridin-3-yl]methyl]propanediamide

Systemtic Name: 2-methyl-2-[(4-nitrophenyl)methyl]-N'-[[2-(phenylmethylsulfanyl)pyridin-3-yl]methyl]propanediamide Openeye Name: N'-[(2-benzylsulfanyl-3-pyridyl)methyl]-2-methyl-2-[(4-nitrophenyl)methyl]propanediamide CAS Name: 2-methyl-2-[(4-nitrophenyl)methyl]-N'-[[2-(phenylmethylthio)-3-pyridinyl]methyl]propanediamide IUPAC Name: N'-[(2-benzylsulfanylpyridin-3-yl)methyl]-2-methyl-2-[(4-nitrophenyl)methyl]propanediamide Traditional Name: N'-[[2-(benzylthio)-3-pyridyl]methyl]-2-methyl-2-(4-nitrobenzyl)malonamide Formula: C24H24N4O4S MolecularWeight: 464.53676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)N)C(=O)NCC2=C(N=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)N)C(=O)NCC2=C(N=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C24H24N4O4S/c1-24(22(25)29,14-17-9-11-20(12-10-17)28(31)32)23(30)27-15-19-8-5-13-26-21(19)33-16-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H2,25,29)(H,27,30)