3,5-bis(bromanyl)-2-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(4-chloro-3-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(4-chloro-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C15H8Br2ClN3O5S MolecularWeight: 537.56712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H8Br2ClN3O5S/c16-7-4-8(14(23)24)12(9(17)5-7)19-15(27)20-13(22)6-1-2-10(18)11(3-6)21(25)26/h1-5H,(H,23,24)(H2,19,20,22,27)