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

Systemtic Name: 3-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic acid Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O4S/c1-2-24-14-7-6-10(9-13(14)18)15(21)20-17(25)19-12-5-3-4-11(8-12)16(22)23/h3-9H,2H2,1H3,(H,22,23)(H2,19,20,21,25)