3-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
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![3-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/aa27e35b7205495faa56539b4b81012c.png "3-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID")
3-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
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CAS No:
433965-28-7
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Formula:
C18H15ClN2O3S
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Chemical Name:
3-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
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Synonyms:
DTXSID60361725;3-[3-(4-chlorophenyl)prop-2-enoylcarbamothioylamino]-4-methylbenzoic acid;MCULE-7461168276
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CAS No:
3-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID Basic Attributes
374.839
374.049
DTXSID60361725
Computed Properties
Molecular Weight:374.8
XLogP3:4.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:374.0491912
Monoisotopic Mass:374.0491912
Topological Polar Surface Area:111
Heavy Atom Count:25
Complexity:532
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[[[[3-(4-CHLOROPHENYL)-1-OXO-2-PROPENYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
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