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

Systemtic Name: 3,5-dinitro-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-benzyloxybenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(4-benzoxybenzoyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C22H17N5O7S MolecularWeight: 495.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=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)COC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O7S/c28-20(16-10-17(26(30)31)12-18(11-16)27(32)33)23-22(35)25-24-21(29)15-6-8-19(9-7-15)34-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,24,29)(H2,23,25,28,35)