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

Systemtic Name: N-[3-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-[2-pyridyl-[4-(2-pyridyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-[2-pyridinyl-[4-(2-pyridinyl)-1-piperazinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-[2-pyridyl-[4-(2-pyridyl)piperazino]methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=CC=N3)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=CC=N3)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C25H29N5OS/c1-18(31)28-25-23(19-8-2-3-10-21(19)32-25)24(20-9-4-6-12-26-20)30-16-14-29(15-17-30)22-11-5-7-13-27-22/h4-7,9,11-13,24H,2-3,8,10,14-17H2,1H3,(H,28,31)