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3-chloro-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide
3-chloro-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide
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![3-chloro-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/33483d5b5c3d4a5fb9e6cc50d7412e77.png "3-chloro-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide")
3-chloro-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide
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CAS No:
732272-90-1
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Formula:
C19H15ClN4OS2
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Chemical Name:
3-chloro-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide
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Synonyms:
ZINC12659257;AKOS034464895;MCULE-7916171234;Z56904017;3-(3-chloro-1-benzothiophene-2-carbonyl)-1-(2-cyanoethyl)-1-[(pyridin-3-yl)methyl]thiourea;732272-90-1
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CAS No:
3-chloro-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide Basic Attributes
414.9 g/mol
414.0375812 g/mol
Computed Properties
Molecular Weight:414.9
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:414.0375812
Monoisotopic Mass:414.0375812
Topological Polar Surface Area:129
Heavy Atom Count:27
Complexity:596
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 3-chloro-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide
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