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

Systemtic Name: 2-methyl-2-(4-nitrophenyl)carbonyl-N'-[[2-(phenylmethylsulfanyl)phenyl]methyl]propanediamide Openeye Name: N'-[(2-benzylsulfanylphenyl)methyl]-2-methyl-2-(4-nitrobenzoyl)propanediamide CAS Name: 2-methyl-2-[(4-nitrophenyl)-oxomethyl]-N'-[[2-(phenylmethylthio)phenyl]methyl]propanediamide IUPAC Name: N'-[(2-benzylsulfanylphenyl)methyl]-2-methyl-2-(4-nitrobenzoyl)propanediamide Traditional Name: N'-[2-(benzylthio)benzyl]-2-methyl-2-(4-nitrobenzoyl)malonamide Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O5S/c1-25(23(26)30,22(29)18-11-13-20(14-12-18)28(32)33)24(31)27-15-19-9-5-6-10-21(19)34-16-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H2,26,30)(H,27,31)