N-[2-(oxan-4-ylmethylcarbamoyl)pyridin-3-yl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-(oxan-4-ylmethylcarbamoyl)pyridin-3-yl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(tetrahydropyran-4-ylmethylcarbamoyl)-3-pyridyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-[(4-oxanylmethylamino)-oxomethyl]-3-pyridinyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(oxan-4-ylmethylcarbamoyl)pyridin-3-yl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(tetrahydropyran-4-ylmethylcarbamoyl)-3-pyridyl]-1,3-benzothiazole-6-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC(=O)C2=C(C=CC=N2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1COCCC1CNC(=O)C2=C(C=CC=N2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H20N4O3S/c25-19(14-3-4-15-17(10-14)28-12-23-15)24-16-2-1-7-21-18(16)20(26)22-11-13-5-8-27-9-6-13/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,22,26)(H,24,25)