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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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