N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[3-[(N-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[3-[methyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C22H17N5O6S MolecularWeight: 479.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O6S/c1-25(17-8-3-2-4-9-17)21(29)14-6-5-7-16(10-14)23-22(34)24-20(28)15-11-18(26(30)31)13-19(12-15)27(32)33/h2-13H,1H3,(H2,23,24,28,34)