4-oxo-4-[4-(prop-2-enylcarbamothioylamino)anilino]butanoic acid
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![4-oxo-4-[4-(prop-2-enylcarbamothioylamino)anilino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a782ebb982624f9387ffb5766ddcb895.png "4-oxo-4-[4-(prop-2-enylcarbamothioylamino)anilino]butanoic acid")
4-oxo-4-[4-(prop-2-enylcarbamothioylamino)anilino]butanoic acid
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CAS No:
329267-06-3
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Formula:
C14H17N3O3S
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Chemical Name:
4-oxo-4-[4-(prop-2-enylcarbamothioylamino)anilino]butanoic acid
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Synonyms:
Oprea1_175848;ZINC2703240;AKOS001021321;MCULE-2934193584;ST50036579;SR-01000236534;SR-01000236534-1;Z56794802;4-[(4-{[(allylamino)carbonothioyl]amino}phenyl)amino]-4-oxobutanoic acid;3-[(4-{[(prop-2-en-1-yl)carbamothioyl]amino}phenyl)carbamoyl]propanoic acid;3-[N-(4-{[(prop-2-enylamino)thioxomethyl]amino}phenyl)carbamoyl]propanoic acid;329267-06-3
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CAS No:
4-oxo-4-[4-(prop-2-enylcarbamothioylamino)anilino]butanoic acid Basic Attributes
307.37 g/mol
307.09906259 g/mol
Computed Properties
Molecular Weight:307.37
XLogP3:0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:307.09906259
Monoisotopic Mass:307.09906259
Topological Polar Surface Area:123
Heavy Atom Count:21
Complexity:393
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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