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

Systemtic Name: 3-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]-4-chloro-benzoic acid CAS Name: 3-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-4-chlorobenzoic acid Traditional Name: 3-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]-4-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=CC(=C2)C(=O)O)Cl)Br

Isomeric SMILES

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

InChI

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