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

Systemtic Name: 4-chloranyl-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C16H12ClIN4O5S MolecularWeight: 534.71275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClIN4O5S/c1-27-13-5-3-8(6-11(13)18)15(24)20-21-16(28)19-14(23)9-2-4-10(17)12(7-9)22(25)26/h2-7H,1H3,(H,20,24)(H2,19,21,23,28)