3,5-bis(bromanyl)-2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[[2-(4-chloro-3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C17H13Br2ClN2O4S MolecularWeight: 536.62212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13Br2ClN2O4S/c1-8-4-10(2-3-13(8)20)26-7-14(23)21-17(27)22-15-11(16(24)25)5-9(18)6-12(15)19/h2-6H,7H2,1H3,(H,24,25)(H2,21,22,23,27)