N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C16H12ClN5O6S MolecularWeight: 437.81438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClN5O6S/c17-11-3-1-9(2-4-11)5-14(23)19-20-16(29)18-15(24)10-6-12(21(25)26)8-13(7-10)22(27)28/h1-4,6-8H,5H2,(H,19,23)(H2,18,20,24,29)