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

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-phenoxy)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-(4-bromo-2-tert-butylphenoxy)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(4-bromo-2-tert-butylphenoxy)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(4-bromo-2-tert-butyl-phenoxy)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C21H23BrN2O2S/c1-21(2,3)16-10-13(22)8-9-17(16)26-12-19(25)24-20-15(11-23)14-6-4-5-7-18(14)27-20/h8-10H,4-7,12H2,1-3H3,(H,24,25)