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

Systemtic Name: 3,5-bis(bromanyl)-2-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C15H8Br3ClN2O3S MolecularWeight: 571.46562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)Cl

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br)Cl

InChI

InChI=1S/C15H8Br3ClN2O3S/c16-6-1-2-11(19)8(3-6)13(22)21-15(25)20-12-9(14(23)24)4-7(17)5-10(12)18/h1-5H,(H,23,24)(H2,20,21,22,25)