N-(1-adamantyl)-3-azanyl-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: N-(1-adamantyl)-3-azanyl-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carboxamide Openeye Name: N-(1-adamantyl)-3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carboxamide CAS Name: N-(1-adamantyl)-3-amino-6-(1,3-benzodioxol-5-yl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-(1-adamantyl)-3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carboxamide Traditional Name: N-(1-adamantyl)-3-amino-6-(1,3-benzodioxol-5-yl)thieno[2,3-b]pyridine-2-carboxamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(C5=C(S4)N=C(C=C5)C6=CC7=C(C=C6)OCO7)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(C5=C(S4)N=C(C=C5)C6=CC7=C(C=C6)OCO7)N

InChI

InChI=1S/C25H25N3O3S/c26-21-17-2-3-18(16-1-4-19-20(8-16)31-12-30-19)27-24(17)32-22(21)23(29)28-25-9-13-5-14(10-25)7-15(6-13)11-25/h1-4,8,13-15H,5-7,9-12,26H2,(H,28,29)