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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-ethoxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-o-phenetylpiperazino)acetamide Formula: C27H36N4O2S MolecularWeight: 480.66534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N

InChI

InChI=1S/C27H36N4O2S/c1-5-33-23-9-7-6-8-22(23)31-14-12-30(13-15-31)18-25(32)29-26-21(17-28)20-11-10-19(27(2,3)4)16-24(20)34-26/h6-9,19H,5,10-16,18H2,1-4H3,(H,29,32)