3-(cyclohexylsulfanylmethyl)-N-(4-phenoxyphenyl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-(4-phenoxyphenyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-(4-phenoxyphenyl)benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-(4-phenoxyphenyl)-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-(4-phenoxyphenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-(4-phenoxyphenyl)coumarilamide Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H27NO3S/c30-28(29-20-15-17-22(18-16-20)31-21-9-3-1-4-10-21)27-25(19-33-23-11-5-2-6-12-23)24-13-7-8-14-26(24)32-27/h1,3-4,7-10,13-18,23H,2,5-6,11-12,19H2,(H,29,30)