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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(phenylmethyl)-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(4-benzylpiperazino)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C26H34N4OS MolecularWeight: 450.63936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H34N4OS/c1-26(2,3)20-9-10-21-22(16-27)25(32-23(21)15-20)28-24(31)18-30-13-11-29(12-14-30)17-19-7-5-4-6-8-19/h4-8,20H,9-15,17-18H2,1-3H3,(H,28,31)