3,5-dinitro-N-[[(2-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[(2-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(2-benzyloxybenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[[[oxo-(2-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(2-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=CC=C2C(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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