N,N'-bis(2-methylphenyl)-2-[[(5-nitro-1,3-thiazol-2-yl)amino]methylidene]propanediamide

Systemtic Name: N,N'-bis(2-methylphenyl)-2-[[(5-nitro-1,3-thiazol-2-yl)amino]methylidene]propanediamide Openeye Name: 2-[[(5-nitrothiazol-2-yl)amino]methylene]-N,N'-bis(o-tolyl)propanediamide CAS Name: N,N'-bis(2-methylphenyl)-2-[[(5-nitro-2-thiazolyl)amino]methylidene]propanediamide IUPAC Name: N,N'-bis(2-methylphenyl)-2-[[(5-nitro-1,3-thiazol-2-yl)amino]methylidene]propanediamide Traditional Name: 2-[[(5-nitrothiazol-2-yl)amino]methylene]-N,N'-bis(o-tolyl)malonamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CNC2=NC=C(S2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=CNC2=NC=C(S2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C21H19N5O4S/c1-13-7-3-5-9-16(13)24-19(27)15(11-22-21-23-12-18(31-21)26(29)30)20(28)25-17-10-6-4-8-14(17)2/h3-12H,1-2H3,(H,22,23)(H,24,27)(H,25,28)