2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4)C

InChI

InChI=1S/C22H23N3O3S/c1-14-10-15(2)24-21(17(14)12-23)29-13-20(26)25-16-6-7-18-19(11-16)28-22(27-18)8-4-3-5-9-22/h6-7,10-11H,3-5,8-9,13H2,1-2H3,(H,25,26)