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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(4-benzyloxyphenyl)piperazin-1-yl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-phenylmethoxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]acetamide Traditional Name: 2-[4-(4-benzoxyphenyl)piperazino]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N

InChI

InChI=1S/C28H30N4O2S/c29-18-25-24-8-4-5-9-26(24)35-28(25)30-27(33)19-31-14-16-32(17-15-31)22-10-12-23(13-11-22)34-20-21-6-2-1-3-7-21/h1-3,6-7,10-13H,4-5,8-9,14-17,19-20H2,(H,30,33)