N-[3-[pyridin-2-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-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[2-pyridyl-[4-(2-pyridyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]furan-2-carboxamide CAS Name: N-[3-[2-pyridinyl-[4-(2-pyridinyl)-1-piperazinyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furancarboxamide IUPAC Name: N-[3-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[2-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=CC=CC=N4)N5CCN(CC5)C6=CC=CC=N6

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(C4=CC=CC=N4)N5CCN(CC5)C6=CC=CC=N6

InChI

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