N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-2-nitro-benzamide Formula: C16H13BrN4O5S MolecularWeight: 453.26722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrN4O5S/c1-26-13-7-6-9(8-11(13)17)14(22)19-20-16(27)18-15(23)10-4-2-3-5-12(10)21(24)25/h2-8H,1H3,(H,19,22)(H2,18,20,23,27)