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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(phenylmethyl)piperidin-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(phenylmethyl)-1-piperidinyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(4-benzylpiperidino)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C27H35N3OS MolecularWeight: 449.6513

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3OS/c1-27(2,3)21-9-10-22-23(17-28)26(32-24(22)16-21)29-25(31)18-30-13-11-20(12-14-30)15-19-7-5-4-6-8-19/h4-8,20-21H,9-16,18H2,1-3H3,(H,29,31)