3,5-dinitro-N-[[2-(2-phenylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[2-(2-phenylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[[1-oxo-2-(2-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[[[2-(2-phenylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H17N5O7S MolecularWeight: 495.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2OCC(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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