4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-N-thiophen-2-yl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-N-thiophen-2-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-N-(2-thienyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-N-thiophen-2-yl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-N-thiophen-2-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-N-(2-thienyl)-1,4-diazepane-1-carboxamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C(=O)NC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C(=O)NC5=CC=CS5

InChI

InChI=1S/C26H27N3O2S/c1-19-5-7-20(8-6-19)21-9-10-24-22(16-21)17-23(31-24)18-28-11-3-12-29(14-13-28)26(30)27-25-4-2-15-32-25/h2,4-10,15-17H,3,11-14,18H2,1H3,(H,27,30)