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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)Br

InChI

InChI=1S/C21H23BrN2O2S/c1-2-14-9-10-18(17(22)12-14)26-11-5-8-20(25)24-21-16(13-23)15-6-3-4-7-19(15)27-21/h9-10,12H,2-8,11H2,1H3,(H,24,25)