N-cyclooctyl-2-(2,5-dimethoxyphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-cyclooctyl-2-(2,5-dimethoxyphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-cyclooctyl-2-(2,5-dimethoxyphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-cyclooctyl-2-[(2,5-dimethoxyphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-cyclooctyl-2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-cyclooctyl-2-[(2,5-dimethoxyphenyl)thio]nicotinamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NC3CCCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NC3CCCCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-26-17-12-13-19(27-2)20(15-17)28-22-18(11-8-14-23-22)21(25)24-16-9-6-4-3-5-7-10-16/h8,11-16H,3-7,9-10H2,1-2H3,(H,24,25)