N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenylpiperazin-1-yl)ethanamide

Systemtic Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenylpiperazin-1-yl)ethanamide Openeye Name: N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide CAS Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenyl-1-piperazinyl)acetamide IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-phenylpiperazino)acetamide Formula: C26H34N4OS MolecularWeight: 450.63936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4OS/c1-4-26(2,3)19-10-11-21-22(17-27)25(32-23(21)16-19)28-24(31)18-29-12-14-30(15-13-29)20-8-6-5-7-9-20/h5-9,19H,4,10-16,18H2,1-3H3,(H,28,31)