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5-{[(4-Butoxybenzoyl)Carbamothioyl]Amino}-2-Chlorobenzoic Acid
[CAS# 532939-36-9]

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Identification
Name 5-{[(4-Butoxybenzoyl)Carbamothioyl]Amino}-2-Chlorobenzoic Acid
Synonyms 5-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)-2-chlorobenzoic acid
Molecular Structure CAS#: 532939-36-9, 5-{[(4-Butoxybenzoyl)Carbamothioyl]Amino}-2-Chlorobenzoic Acid
Molecular Formula C19H19ClN2O4S
Molecular Weight 406.88
CAS Registry Number 532939-36-9
SMILES O=C(O)c1cc(ccc1Cl)NC(=S)NC(=O)c2ccc(OCCCC)cc2
InChI 1S/C19H19ClN2O4S/c1-2-3-10-26-14-7-4-12(5-8-14)17(23)22-19(27)21-13-6-9-16(20)15(11-13)18(24)25/h4-9,11H,2-3,10H2,1H3,(H,24,25)(H2,21,22,23,27)
InChIKey BDBOUSQWEIGXKN-UHFFFAOYSA-N
Properties
Density 1.372g/cm3 (Cal.)
Refractive index 1.654 (Cal.)
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