N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C21H26N4OS2 MolecularWeight: 414.58734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)C

InChI

InChI=1S/C21H26N4OS2/c1-12-8-13(2)24-20(23-12)27-11-18(26)25-19-16(10-22)15-7-6-14(21(3,4)5)9-17(15)28-19/h8,14H,6-7,9,11H2,1-5H3,(H,25,26)