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

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2S/c1-3-18-4-9-21-22(15-26)25(32-23(21)14-18)27-24(31)16-28-10-12-29(13-11-28)20-7-5-19(6-8-20)17(2)30/h5-8,18H,3-4,9-14,16H2,1-2H3,(H,27,31)