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

Systemtic Name: N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(4-acetamidobenzoyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H14N6O7S MolecularWeight: 446.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O7S/c1-9(24)18-12-4-2-10(3-5-12)16(26)20-21-17(31)19-15(25)11-6-13(22(27)28)8-14(7-11)23(29)30/h2-8H,1H3,(H,18,24)(H,20,26)(H2,19,21,25,31)