N-(3-methylbutyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(3-methylbutyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-isopentyl-3-(methylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-(3-methylbutyl)-3-[(methylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-(3-methylbutyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-isoamyl-3-[(methylthio)methyl]coumarilamide Formula: C16H21NO2S MolecularWeight: 291.40844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(C2=CC=CC=C2O1)CSC

Isomeric SMILES

CC(C)CCNC(=O)C1=C(C2=CC=CC=C2O1)CSC

InChI

InChI=1S/C16H21NO2S/c1-11(2)8-9-17-16(18)15-13(10-20-3)12-6-4-5-7-14(12)19-15/h4-7,11H,8-10H2,1-3H3,(H,17,18)