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

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C16H12ClIN4O4S MolecularWeight: 518.71335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])I

InChI

InChI=1S/C16H12ClIN4O4S/c1-8-2-3-9(6-12(8)18)14(23)19-16(27)21-20-15(24)10-4-5-11(17)13(7-10)22(25)26/h2-7H,1H3,(H,20,24)(H2,19,21,23,27)