3-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C17H14Br2N2O4S MolecularWeight: 502.17706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)Br)Br

InChI

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