4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoic acid
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![4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b74b0cd5a66840bcb73f5bbfccb4debe.png "4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoic acid")
4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoic acid
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CAS No:
865612-92-6
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Formula:
C18H20N2O4S
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Chemical Name:
4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoic acid
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Synonyms:
865612-92-6;4-(3-(3,4-dimethoxyphenethyl)thioureido)benzoic acid;4-({[2-(3,4-dimethoxyphenyl)ethyl]carbamothioyl}amino)benzoic acid;4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoic acid;ZINC2698118;AKOS002276688;MCULE-6628812577;ST50166345;SR-01000013089;SR-01000013089-1;F1533-0385;4-[({[2-(3,4-dimethoxyphenyl)ethyl]amino}thioxomethyl)amino]benzoic acid
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CAS No:
4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoic acid Basic Attributes
360.4 g/mol
360.11437830 g/mol
Computed Properties
Molecular Weight:360.4
XLogP3:3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:360.11437830
Monoisotopic Mass:360.11437830
Topological Polar Surface Area:112
Heavy Atom Count:25
Complexity:441
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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