N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-[(3,4-dimethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C23H19N5O6S MolecularWeight: 493.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C23H19N5O6S/c1-13-7-8-16(9-14(13)2)24-22(30)19-5-3-4-6-20(19)25-23(35)26-21(29)15-10-17(27(31)32)12-18(11-15)28(33)34/h3-12H,1-2H3,(H,24,30)(H2,25,26,29,35)