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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(phenylmethyl)-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(4-benzylpiperazino)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C24H30N4OS MolecularWeight: 422.5862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4OS/c1-2-18-8-9-20-21(15-25)24(30-22(20)14-18)26-23(29)17-28-12-10-27(11-13-28)16-19-6-4-3-5-7-19/h3-7,18H,2,8-14,16-17H2,1H3,(H,26,29)