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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(o-tolyl)piperazin-1-yl]acetamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(o-tolyl)piperazino]acetamide Formula: C26H34N4OS MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C#N

InChI

InChI=1S/C26H34N4OS/c1-18-7-5-6-8-22(18)30-13-11-29(12-14-30)17-24(31)28-25-21(16-27)20-10-9-19(26(2,3)4)15-23(20)32-25/h5-8,19H,9-15,17H2,1-4H3,(H,28,31)