N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide

Systemtic Name: N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamide Openeye Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(2-pyridyl)piperazin-1-yl]acetamide CAS Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide Traditional Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(2-pyridyl)piperazino]acetamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCN(CC3)C4=CC=CC=N4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCN(CC3)C4=CC=CC=N4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O2S/c31-23(18-29-14-16-30(17-15-29)22-12-6-7-13-27-22)28-26-24(20-10-4-5-11-21(20)33-26)25(32)19-8-2-1-3-9-19/h1-3,6-9,12-13H,4-5,10-11,14-18H2,(H,28,31)