3,5-bis(bromanyl)-2-[2-(4-ethylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-[2-(4-ethylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[2-(4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[[2-(4-ethylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C18H16Br2N2O4S MolecularWeight: 516.20364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

InChI

InChI=1S/C18H16Br2N2O4S/c1-2-10-3-5-12(6-4-10)26-9-15(23)21-18(27)22-16-13(17(24)25)7-11(19)8-14(16)20/h3-8H,2,9H2,1H3,(H,24,25)(H2,21,22,23,27)