3,5-bis(chloranyl)-2-[(2-chloranyl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(chloranyl)-2-[(2-chloranyl-5-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dichloro-2-[(2-chloro-5-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dichloro-2-[[[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dichloro-2-[(2-chloro-5-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dichloro-2-[(2-chloro-5-nitro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C15H8Cl3N3O5S MolecularWeight: 448.66512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Cl)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Cl)Cl)Cl

InChI

InChI=1S/C15H8Cl3N3O5S/c16-6-3-9(14(23)24)12(11(18)4-6)19-15(27)20-13(22)8-5-7(21(25)26)1-2-10(8)17/h1-5H,(H,23,24)(H2,19,20,22,27)