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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(o-tolyl)piperazin-1-yl]acetamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(o-tolyl)piperazino]acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C23H28N4OS/c1-16-7-8-18-19(14-24)23(29-21(18)13-16)25-22(28)15-26-9-11-27(12-10-26)20-6-4-3-5-17(20)2/h3-6,16H,7-13,15H2,1-2H3,(H,25,28)