N-(2-ethyl-6-methyl-phenyl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(2-ethyl-6-methyl-phenyl)benzofuran-2-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(2-ethyl-6-methylphenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(2-ethyl-6-methyl-phenyl)coumarilamide Formula: C26H25NO2S MolecularWeight: 415.5472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4)C

InChI

InChI=1S/C26H25NO2S/c1-3-20-13-9-10-18(2)24(20)27-26(28)25-22(21-14-7-8-15-23(21)29-25)17-30-16-19-11-5-4-6-12-19/h4-15H,3,16-17H2,1-2H3,(H,27,28)