2-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
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![2-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/74b08bf2bde94fc4a22633251b2f49b7.png "2-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID")
2-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
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CAS No:
433941-98-1
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Formula:
C17H13ClN2O3S
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Chemical Name:
2-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
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Synonyms:
MLS000807004;SMR000414818;2-{3-[(E)-3-(4-Chloro-phenyl)-acryloyl]-thioureido}-benzoic acid;2-({[(2E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid;CHEMBL1582142;BDBM82887;cid_1854284;HMS2743K11;ZINC2222014;STK101315
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CAS No:
2-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID Basic Attributes
360.812
360.034
Computed Properties
Molecular Weight:360.8
XLogP3:4.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:360.0335411
Monoisotopic Mass:360.0335411
Topological Polar Surface Area:111
Heavy Atom Count:24
Complexity:504
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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