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One Pot Efficient Synthesis of 1,3-di(Naphthalen-1-yl)Thiourea; X-Ray Structure, Hirshfeld Surface Analysis, Density Functional Theory, Molecular Docking and In-Vitro Biological Assessment

Muhammad Asam Raza, Kanwal Javaid, Umme Farwa, Anam Javaid, Muhammad Yaseen, Jan K. Maurin, Armand Budzianowski, Bushra Iqbal, Saba Ibrahim

2022Journal of Molecular Structure19 citationsDOI

Topics & Concepts

ChemistryThioureaDensity functional theoryHOMO/LUMOMolecular orbitalMoleculeMolecular geometryBasis setBond lengthComputational chemistryCrystal structureCrystallographyDocking (animal)Organic chemistryNursingMedicineSynthesis and biological activityComputational Drug Discovery MethodsPhenothiazines and Benzothiazines Synthesis and Activities
One Pot Efficient Synthesis of 1,3-di(Naphthalen-1-yl)Thiourea; X-Ray Structure, Hirshfeld Surface Analysis, Density Functional Theory, Molecular Docking and In-Vitro Biological Assessment | Litcius