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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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