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

Systemtic Name: 4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-N-thiophen-2-yl-piperazine-1-carboxamide Openeye Name: 4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-N-(2-thienyl)piperazine-1-carboxamide CAS Name: 4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-N-thiophen-2-yl-1-piperazinecarboxamide IUPAC Name: 4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide Traditional Name: 4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-N-(2-thienyl)piperazine-1-carboxamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)C(=O)NC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)C(=O)NC5=CC=CS5

InChI

InChI=1S/C25H25N3O2S/c1-18-4-6-19(7-5-18)20-8-9-23-21(15-20)16-22(30-23)17-27-10-12-28(13-11-27)25(29)26-24-3-2-14-31-24/h2-9,14-16H,10-13,17H2,1H3,(H,26,29)