N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylsulfonyl-1-piperazinyl)acetamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-mesylpiperazino)acetamide Formula: C20H30N4O3S2 MolecularWeight: 438.6072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H30N4O3S2/c1-20(2,3)14-5-6-15-16(12-21)19(28-17(15)11-14)22-18(25)13-23-7-9-24(10-8-23)29(4,26)27/h14H,5-11,13H2,1-4H3,(H,22,25)