5-bromanyl-2-[(4-ethoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(4-ethoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(4-ethoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(4-ethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(4-ethoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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