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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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