3-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
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![3-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7f7160950a7a47b6954be60e15845668.png "3-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID")
3-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
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CAS No:
461399-85-9
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Formula:
C20H15BrN2O4S
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Chemical Name:
3-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
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Synonyms:
DTXSID20367829;ZINC2999094;AKOS000291321;MCULE-9587311744;3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid
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CAS No:
3-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID Basic Attributes
459.314
457.994
DTXSID20367829
Computed Properties
Molecular Weight:459.3
XLogP3:5.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:457.99359
Monoisotopic Mass:457.99359
Topological Polar Surface Area:124
Heavy Atom Count:28
Complexity:597
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[[[[[5-(4-BROMOPHENYL)-2-FURANYL]CARBONYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
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