N-(5-tert-butyl-2-methoxy-phenyl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(5-tert-butyl-2-methoxy-phenyl)benzofuran-2-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(5-tert-butyl-2-methoxyphenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(5-tert-butyl-2-methoxy-phenyl)coumarilamide Formula: C28H29NO3S MolecularWeight: 459.59976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO3S/c1-28(2,3)20-14-15-25(31-4)23(16-20)29-27(30)26-22(21-12-8-9-13-24(21)32-26)18-33-17-19-10-6-5-7-11-19/h5-16H,17-18H2,1-4H3,(H,29,30)