3-(1-benzothiophen-3-ylcarbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

Systemtic Name: 3-(1-benzothiophen-3-ylcarbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide Openeye Name: 3-(benzothiophene-3-carbonylamino)-N-(tetrahydropyran-4-ylmethyl)pyridine-2-carboxamide CAS Name: 3-[[1-benzothiophen-3-yl(oxo)methyl]amino]-N-(4-oxanylmethyl)-2-pyridinecarboxamide IUPAC Name: 3-(1-benzothiophene-3-carbonylamino)-N-(oxan-4-ylmethyl)pyridine-2-carboxamide Traditional Name: 3-(benzothiophene-3-carbonylamino)-N-(tetrahydropyran-4-ylmethyl)picolinamide Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CNC(=O)C2=C(C=CC=N2)NC(=O)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1COCCC1CNC(=O)C2=C(C=CC=N2)NC(=O)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O3S/c25-20(16-13-28-18-6-2-1-4-15(16)18)24-17-5-3-9-22-19(17)21(26)23-12-14-7-10-27-11-8-14/h1-6,9,13-14H,7-8,10-12H2,(H,23,26)(H,24,25)