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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCOC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCOC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C21H23BrN2O2S/c1-13-6-8-18(17(22)10-13)26-9-3-4-20(25)24-21-16(12-23)15-7-5-14(2)11-19(15)27-21/h6,8,10,14H,3-5,7,9,11H2,1-2H3,(H,24,25)