5-bromanyl-2-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H12Br2N2O4S MolecularWeight: 488.15048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O)Br

InChI

InChI=1S/C16H12Br2N2O4S/c17-9-1-4-11(5-2-9)24-8-14(21)20-16(25)19-13-6-3-10(18)7-12(13)15(22)23/h1-7H,8H2,(H,22,23)(H2,19,20,21,25)