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

Systemtic Name: N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[(4-benzamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(4-benzamidobenzoyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C22H16N6O7S MolecularWeight: 508.46344

Click to see the large picture

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-])[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-])[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O7S/c29-19(13-4-2-1-3-5-13)23-16-8-6-14(7-9-16)21(31)25-26-22(36)24-20(30)15-10-17(27(32)33)12-18(11-15)28(34)35/h1-12H,(H,23,29)(H,25,31)(H2,24,26,30,36)