N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[(4-benzamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[(4-benzamidobenzoyl)amino]thiocarbamoyl]-4-nitro-benzamide Formula: C22H17N5O5S MolecularWeight: 463.46588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O5S/c28-19(14-4-2-1-3-5-14)23-17-10-6-16(7-11-17)21(30)25-26-22(33)24-20(29)15-8-12-18(13-9-15)27(31)32/h1-13H,(H,23,28)(H,25,30)(H2,24,26,29,33)