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

Systemtic Name: 3,5-bis(bromanyl)-2-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C17H14Br2N2O4S MolecularWeight: 502.17706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

InChI

InChI=1S/C17H14Br2N2O4S/c1-9-3-2-4-11(5-9)25-8-14(22)20-17(26)21-15-12(16(23)24)6-10(18)7-13(15)19/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26)