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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N

InChI

InChI=1S/C27H34N4O2S/c1-18(32)19-5-8-21(9-6-19)31-13-11-30(12-14-31)17-25(33)29-26-23(16-28)22-10-7-20(27(2,3)4)15-24(22)34-26/h5-6,8-9,20H,7,10-15,17H2,1-4H3,(H,29,33)