N,N'-bis(4-methylphenyl)-2-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]propanediamide

Systemtic Name: N,N'-bis(4-methylphenyl)-2-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylidene]propanediamide Openeye Name: 2-[(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylene]-N,N'-bis(p-tolyl)propanediamide CAS Name: N,N'-bis(4-methylphenyl)-2-[[3-nitro-4-(2-pyrimidinylthio)phenyl]methylidene]propanediamide IUPAC Name: N,N'-bis(4-methylphenyl)-2-[(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylidene]propanediamide Traditional Name: 2-[3-nitro-4-(2-pyrimidylthio)benzylidene]-N,N'-bis(p-tolyl)malonamide Formula: C28H23N5O4S MolecularWeight: 525.57832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C28H23N5O4S/c1-18-4-9-21(10-5-18)31-26(34)23(27(35)32-22-11-6-19(2)7-12-22)16-20-8-13-25(24(17-20)33(36)37)38-28-29-14-3-15-30-28/h3-17H,1-2H3,(H,31,34)(H,32,35)