N-[3,4-bis(fluoranyl)phenyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-(3,4-difluorophenyl)benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-(3,4-difluorophenyl)-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-(3,4-difluorophenyl)coumarilamide Formula: C22H21F2NO2S MolecularWeight: 401.469446

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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)F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H21F2NO2S/c23-18-11-10-14(12-19(18)24)25-22(26)21-17(13-28-15-6-2-1-3-7-15)16-8-4-5-9-20(16)27-21/h4-5,8-12,15H,1-3,6-7,13H2,(H,25,26)