N-[3-oxidanylidene-3-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]propyl]adamantane-1-carboxamide Openeye Name: N-[3-oxo-3-[3-[2-(2-thienyl)ethynyl]anilino]propyl]adamantane-1-carboxamide CAS Name: N-[3-oxo-3-[3-(2-thiophen-2-ylethynyl)anilino]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-oxo-3-[3-(2-thiophen-2-ylethynyl)anilino]propyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[3-[2-(2-thienyl)ethynyl]anilino]propyl]adamantane-1-carboxamide Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C#CC5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C#CC5=CC=CS5

InChI

InChI=1S/C26H28N2O2S/c29-24(28-22-4-1-3-18(14-22)6-7-23-5-2-10-31-23)8-9-27-25(30)26-15-19-11-20(16-26)13-21(12-19)17-26/h1-5,10,14,19-21H,8-9,11-13,15-17H2,(H,27,30)(H,28,29)