N-[4-(ethanoylcarbamothioylamino)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(ethanoylcarbamothioylamino)phenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(acetylcarbamothioylamino)phenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(acetylcarbamothioylamino)phenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(acetylthiocarbamoylamino)phenyl]-3,5-dinitro-benzamide Formula: C16H13N5O6S MolecularWeight: 403.36932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O6S/c1-9(22)17-16(28)19-12-4-2-11(3-5-12)18-15(23)10-6-13(20(24)25)8-14(7-10)21(26)27/h2-8H,1H3,(H,18,23)(H2,17,19,22,28)