1-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]isonipecotamide Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCC(CC4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)N4CCC(CC4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C29H34N2O3S/c32-28(30-19-21-9-3-1-4-10-21)22-15-17-31(18-16-22)29(33)27-25(20-35-23-11-5-2-6-12-23)24-13-7-8-14-26(24)34-27/h1,3-4,7-10,13-14,22-23H,2,5-6,11-12,15-20H2,(H,30,32)