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

Systemtic Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-(3,3-dimethylbutyl)pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-(3,3-dimethylbutyl)pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethoxyphenyl)thio]-N-(3,3-dimethylbutyl)-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-(3,3-dimethylbutyl)pyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethoxyphenyl)thio]-N-(3,3-dimethylbutyl)nicotinamide Formula: C20H26N2O3S MolecularWeight: 374.49704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=O)C1=C(N=CC=C1)SC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=C(N=CC=C1)SC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C20H26N2O3S/c1-20(2,3)10-12-21-18(23)15-7-6-11-22-19(15)26-17-13-14(24-4)8-9-16(17)25-5/h6-9,11,13H,10,12H2,1-5H3,(H,21,23)