3-[(phenylmethylsulfanyl)methyl]-N-(2,4,6-trimethylphenyl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-[(phenylmethylsulfanyl)methyl]-N-(2,4,6-trimethylphenyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(2,4,6-trimethylphenyl)benzofuran-2-carboxamide CAS Name: 3-[(phenylmethylthio)methyl]-N-(2,4,6-trimethylphenyl)-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(2,4,6-trimethylphenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-mesityl-coumarilamide Formula: C26H25NO2S MolecularWeight: 415.5472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4)C

InChI

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