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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3)C(C)C)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3)C(C)C)Br

InChI

InChI=1S/C21H23BrN2O2S/c1-12(2)14-5-7-18(17(22)9-14)26-11-20(25)24-21-16(10-23)15-6-4-13(3)8-19(15)27-21/h5,7,9,12-13H,4,6,8,11H2,1-3H3,(H,24,25)