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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[3-methyl-4-(p-tolyl)piperazin-1-yl]acetamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-methyl-4-(4-methylphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[3-methyl-4-(p-tolyl)piperazino]acetamide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(C(C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(C(C3)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H32N4OS/c1-4-19-7-10-21-22(14-26)25(31-23(21)13-19)27-24(30)16-28-11-12-29(18(3)15-28)20-8-5-17(2)6-9-20/h5-6,8-9,18-19H,4,7,10-13,15-16H2,1-3H3,(H,27,30)