2-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-5-chloranyl-benzoic acid

Systemtic Name: 2-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-5-chloranyl-benzoic acid Openeye Name: 2-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]-5-chloro-benzoic acid CAS Name: 2-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-chlorobenzoic acid IUPAC Name: 2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-5-chlorobenzoic acid Traditional Name: 2-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]-5-chloro-benzoic acid Formula: C17H14BrClN2O4S MolecularWeight: 457.72606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O)Br

InChI

InChI=1S/C17H14BrClN2O4S/c1-2-25-14-6-3-9(7-12(14)18)15(22)21-17(26)20-13-5-4-10(19)8-11(13)16(23)24/h3-8H,2H2,1H3,(H,23,24)(H2,20,21,22,26)