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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=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)14(23)19-16(28)21-20-15(24)9-2-4-10(17)12(7-9)22(25)26/h2-7H,1H3,(H,20,24)(H2,19,21,23,28)