N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[(4-benzamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[(4-benzamidobenzoyl)amino]thiocarbamoyl]-2-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=CC=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=CC=C3[N+](=O)[O-]

InChI

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