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

Systemtic Name: 4-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 4-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=S)NC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=S)NC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H13BrN2O4S/c17-11-3-7-13(8-4-11)23-9-14(20)19-16(24)18-12-5-1-10(2-6-12)15(21)22/h1-8H,9H2,(H,21,22)(H2,18,19,20,24)