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

Systemtic Name: N-[3-[pyridin-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[3-pyridyl-[4-(2-pyridyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[3-[3-pyridinyl-[4-(2-pyridinyl)-1-piperazinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: N-[3-[pyridin-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[3-pyridyl-[4-(2-pyridyl)piperazino]methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-furamide Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(C4=CN=CC=C4)N5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(C4=CN=CC=C4)N5CCN(CC5)C6=CC=CC=N6

InChI

InChI=1S/C28H29N5O2S/c34-27(22-9-6-18-35-22)31-28-25(21-8-1-2-10-23(21)36-28)26(20-7-5-12-29-19-20)33-16-14-32(15-17-33)24-11-3-4-13-30-24/h3-7,9,11-13,18-19,26H,1-2,8,10,14-17H2,(H,31,34)