2-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[(4-chloro-3-nitro-benzoyl)carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)thiocarbamoylamino]-5-iodo-benzoic acid Formula: C15H9ClIN3O5S MolecularWeight: 505.67153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H9ClIN3O5S/c16-10-3-1-7(5-12(10)20(24)25)13(21)19-15(26)18-11-4-2-8(17)6-9(11)14(22)23/h1-6H,(H,22,23)(H2,18,19,21,26)