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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(3-methoxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(3-methoxyphenyl)piperazino]acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-16-6-7-19-20(14-24)23(30-21(19)12-16)25-22(28)15-26-8-10-27(11-9-26)17-4-3-5-18(13-17)29-2/h3-5,13,16H,6-12,15H2,1-2H3,(H,25,28)