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

Systemtic Name: 2-[(2-bromanyl-5-nitro-phenyl)carbonylcarbamothioylamino]-3,5-bis(chloranyl)benzoic acid Openeye Name: 2-[(2-bromo-5-nitro-benzoyl)carbamothioylamino]-3,5-dichloro-benzoic acid CAS Name: 2-[[[[(2-bromo-5-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-dichlorobenzoic acid IUPAC Name: 2-[(2-bromo-5-nitrobenzoyl)carbamothioylamino]-3,5-dichlorobenzoic acid Traditional Name: 2-[(2-bromo-5-nitro-benzoyl)thiocarbamoylamino]-3,5-dichloro-benzoic acid Formula: C15H8BrCl2N3O5S MolecularWeight: 493.11612

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H8BrCl2N3O5S/c16-10-2-1-7(21(25)26)5-8(10)13(22)20-15(27)19-12-9(14(23)24)3-6(17)4-11(12)18/h1-5H,(H,23,24)(H2,19,20,22,27)