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Home >> Chemical Listing >> Page 1599 >> 3-{[(3-Bromo-4-Ethoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid

3-{[(3-Bromo-4-Ethoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
[CAS# 462613-53-2]

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Identification
Name 3-{[(3-Bromo-4-Ethoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
Synonyms 3-({[(3-bromo-4-ethoxybenzoyl)amino]carbonothioyl}amino)benzoic acid; 3-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid
Molecular Structure CAS#: 462613-53-2, 3-{[(3-Bromo-4-Ethoxybenzoyl)Carbamothioyl]Amino}Benzoic Acid
Molecular Formula C17H15BrN2O4S
Molecular Weight 423.28
CAS Registry Number 462613-53-2
SMILES Brc1cc(ccc1OCC)C(=O)NC(=S)Nc2cc(C(=O)O)ccc2
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)
InChIKey QTJNITDDXKVCJW-UHFFFAOYSA-N
Properties
Density 1.58g/cm3 (Cal.)
Refractive index 1.689 (Cal.)
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