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

Systemtic Name: N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C16H13IN4O5S MolecularWeight: 500.26769

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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-])I

Isomeric SMILES

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

InChI

InChI=1S/C16H13IN4O5S/c1-26-13-6-5-10(8-12(13)17)15(23)19-20-16(27)18-14(22)9-3-2-4-11(7-9)21(24)25/h2-8H,1H3,(H,19,23)(H2,18,20,22,27)