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

Systemtic Name: N-tert-butyl-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-tert-butyl-benzofuran-2-carboxamide CAS Name: N-tert-butyl-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-tert-butyl-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-tert-butyl-coumarilamide Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO2S/c1-21(2,3)22-20(23)19-17(16-11-7-8-12-18(16)24-19)14-25-13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,22,23)