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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(2-pyrimidyl)piperazino]acetamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H26N6OS/c1-2-15-4-5-16-17(13-22)20(29-18(16)12-15)25-19(28)14-26-8-10-27(11-9-26)21-23-6-3-7-24-21/h3,6-7,15H,2,4-5,8-12,14H2,1H3,(H,25,28)