N-(2,3-dihydro-1H-inden-5-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-indan-5-yl-benzofuran-2-carboxamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(2,3-dihydro-1H-inden-5-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-indan-5-yl-coumarilamide Formula: C26H23NO2S MolecularWeight: 413.53132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

InChI

InChI=1S/C26H23NO2S/c28-26(27-21-14-13-19-9-6-10-20(19)15-21)25-23(22-11-4-5-12-24(22)29-25)17-30-16-18-7-2-1-3-8-18/h1-5,7-8,11-15H,6,9-10,16-17H2,(H,27,28)