3-(cyclohexylsulfanylmethyl)-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(cyclohexylsulfanylmethyl)-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-(1,1-dimethylpropyl)benzofuran-2-carboxamide CAS Name: 3-[(cyclohexylthio)methyl]-N-(2-methylbutan-2-yl)-2-benzofurancarboxamide IUPAC Name: 3-(cyclohexylsulfanylmethyl)-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide Traditional Name: N-tert-amyl-3-[(cyclohexylthio)methyl]coumarilamide Formula: C21H29NO2S MolecularWeight: 359.52546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=C(C2=CC=CC=C2O1)CSC3CCCCC3

Isomeric SMILES

CCC(C)(C)NC(=O)C1=C(C2=CC=CC=C2O1)CSC3CCCCC3

InChI

InChI=1S/C21H29NO2S/c1-4-21(2,3)22-20(23)19-17(14-25-15-10-6-5-7-11-15)16-12-8-9-13-18(16)24-19/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3,(H,22,23)