4-nitro-N-[[2-(3-nitrophenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 4-nitro-N-[[2-(3-nitrophenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-nitro-N-[[[2-(3-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-nitro-N-[[[2-(3-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[[[2-(3-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-nitro-N-[[[2-(3-nitrophenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C16H13N5O7S MolecularWeight: 419.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O7S/c22-14(9-28-13-3-1-2-12(8-13)21(26)27)18-19-16(29)17-15(23)10-4-6-11(7-5-10)20(24)25/h1-8H,9H2,(H,18,22)(H2,17,19,23,29)