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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(2-pyridyl)piperazin-1-yl]acetamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(2-pyridyl)piperazino]acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5OS/c1-2-16-6-7-17-18(14-23)22(29-19(17)13-16)25-21(28)15-26-9-11-27(12-10-26)20-5-3-4-8-24-20/h3-5,8,16H,2,6-7,9-13,15H2,1H3,(H,25,28)