3,5-dinitro-N-[[2-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[2-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[2-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-[anilino(oxo)methyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: 3,5-dinitro-N-[[2-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[2-(phenylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H15N5O6S MolecularWeight: 465.4387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O6S/c27-19(13-10-15(25(29)30)12-16(11-13)26(31)32)24-21(33)23-18-9-5-4-8-17(18)20(28)22-14-6-2-1-3-7-14/h1-12H,(H,22,28)(H2,23,24,27,33)