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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-ethoxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-o-phenetylpiperazino)acetamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4=CC=CC=C4OCC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)C4=CC=CC=C4OCC

InChI

InChI=1S/C25H32N4O2S/c1-3-18-9-10-19-20(16-26)25(32-23(19)15-18)27-24(30)17-28-11-13-29(14-12-28)21-7-5-6-8-22(21)31-4-2/h5-8,18H,3-4,9-15,17H2,1-2H3,(H,27,30)