2-[4-(2-adamantyl)piperazin-1-yl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-[4-(2-adamantyl)piperazin-1-yl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-[4-(2-adamantyl)piperazin-1-yl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[4-(2-adamantyl)-1-piperazinyl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-[4-(2-adamantyl)piperazin-1-yl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[4-(2-adamantyl)piperazino]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C27H38N4OS MolecularWeight: 466.68182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C27H38N4OS/c1-2-17-3-4-22-23(15-28)27(33-24(22)14-17)29-25(32)16-30-5-7-31(8-6-30)26-20-10-18-9-19(12-20)13-21(26)11-18/h17-21,26H,2-14,16H2,1H3,(H,29,32)