N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C23H30N6OS MolecularWeight: 438.5889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H30N6OS/c1-23(2,3)16-5-6-17-18(14-24)21(31-19(17)13-16)27-20(30)15-28-9-11-29(12-10-28)22-25-7-4-8-26-22/h4,7-8,16H,5-6,9-13,15H2,1-3H3,(H,27,30)