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

Systemtic Name: 1-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]isonipecotamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c23-21(25)15-10-12-24(13-11-15)22(26)20-18(14-28-16-6-2-1-3-7-16)17-8-4-5-9-19(17)27-20/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H2,23,25)