N-[[5-(cyclobutylmethylsulfanyl)-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]methyl]benzamide

Systemtic Name: N-[[5-(cyclobutylmethylsulfanyl)-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]methyl]benzamide Openeye Name: N-[[5-(cyclobutylmethylsulfanyl)-2-(3-pyridylmethyl)benzofuran-3-yl]methyl]benzamide CAS Name: N-[[5-(cyclobutylmethylthio)-2-(3-pyridinylmethyl)-3-benzofuranyl]methyl]benzamide IUPAC Name: N-[[5-(cyclobutylmethylsulfanyl)-2-(pyridin-3-ylmethyl)-1-benzofuran-3-yl]methyl]benzamide Traditional Name: N-[[5-(cyclobutylmethylthio)-2-(3-pyridylmethyl)benzofuran-3-yl]methyl]benzamide Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CSC2=CC3=C(C=C2)OC(=C3CNC(=O)C4=CC=CC=C4)CC5=CN=CC=C5

Isomeric SMILES

C1CC(C1)CSC2=CC3=C(C=C2)OC(=C3CNC(=O)C4=CC=CC=C4)CC5=CN=CC=C5

InChI

InChI=1S/C27H26N2O2S/c30-27(21-9-2-1-3-10-21)29-17-24-23-15-22(32-18-19-6-4-7-19)11-12-25(23)31-26(24)14-20-8-5-13-28-16-20/h1-3,5,8-13,15-16,19H,4,6-7,14,17-18H2,(H,29,30)