3,5-dinitro-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H15N5O6S MolecularWeight: 465.4387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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