2-methyl-2-[(4-nitrophenyl)methyl]-N'-[[2-(phenylmethylsulfanyl)phenyl]methyl]propanediamide

Systemtic Name: 2-methyl-2-[(4-nitrophenyl)methyl]-N'-[[2-(phenylmethylsulfanyl)phenyl]methyl]propanediamide Openeye Name: N'-[(2-benzylsulfanylphenyl)methyl]-2-methyl-2-[(4-nitrophenyl)methyl]propanediamide CAS Name: 2-methyl-2-[(4-nitrophenyl)methyl]-N'-[[2-(phenylmethylthio)phenyl]methyl]propanediamide IUPAC Name: N'-[(2-benzylsulfanylphenyl)methyl]-2-methyl-2-[(4-nitrophenyl)methyl]propanediamide Traditional Name: N'-[2-(benzylthio)benzyl]-2-methyl-2-(4-nitrobenzyl)malonamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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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=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

CC(CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)N)C(=O)NCC2=CC=CC=C2SCC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O4S/c1-25(23(26)29,15-18-11-13-21(14-12-18)28(31)32)24(30)27-16-20-9-5-6-10-22(20)33-17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H2,26,29)(H,27,30)