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

Systemtic Name: 2-(4-chloranylphenoxy)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: 2-(4-chlorophenoxy)-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: 2-(4-chlorophenoxy)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: 2-(4-chlorophenoxy)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-chlorophenoxy)acetamide Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O2S/c1-4-22(2,3)14-5-10-17-18(12-24)21(28-19(17)11-14)25-20(26)13-27-16-8-6-15(23)7-9-16/h6-9,14H,4-5,10-11,13H2,1-3H3,(H,25,26)