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

Systemtic Name: 4-bromanyl-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C16H13BrN4O5S MolecularWeight: 453.26722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrN4O5S/c17-11-3-1-10(2-4-11)15(23)18-16(27)20-19-14(22)9-26-13-7-5-12(6-8-13)21(24)25/h1-8H,9H2,(H,19,22)(H2,18,20,23,27)