2-bromanyl-N-[4-(ethanoylcarbamothioylamino)phenyl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[4-(ethanoylcarbamothioylamino)phenyl]-5-nitro-benzamide Openeye Name: N-[4-(acetylcarbamothioylamino)phenyl]-2-bromo-5-nitro-benzamide CAS Name: N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-2-bromo-5-nitrobenzamide IUPAC Name: N-[4-(acetylcarbamothioylamino)phenyl]-2-bromo-5-nitrobenzamide Traditional Name: N-[4-(acetylthiocarbamoylamino)phenyl]-2-bromo-5-nitro-benzamide Formula: C16H13BrN4O4S MolecularWeight: 437.26782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN4O4S/c1-9(22)18-16(26)20-11-4-2-10(3-5-11)19-15(23)13-8-12(21(24)25)6-7-14(13)17/h2-8H,1H3,(H,19,23)(H2,18,20,22,26)