N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=CC(=N3)C

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=CC(=N3)C

InChI

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