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

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C21H25BrN2OS MolecularWeight: 433.405

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C#N

InChI

InChI=1S/C21H25BrN2OS/c22-21-8-13-5-14(9-21)7-20(6-13,12-21)10-18(25)24-19-16(11-23)15-3-1-2-4-17(15)26-19/h13-14H,1-10,12H2,(H,24,25)