N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(2,5-diethoxy-4-morpholino-phenyl)benzofuran-2-carboxamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(2,5-diethoxy-4-morpholino-phenyl)coumarilamide Formula: C31H34N2O5S MolecularWeight: 546.67706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

InChI

InChI=1S/C31H34N2O5S/c1-3-36-28-19-26(33-14-16-35-17-15-33)29(37-4-2)18-25(28)32-31(34)30-24(23-12-8-9-13-27(23)38-30)21-39-20-22-10-6-5-7-11-22/h5-13,18-19H,3-4,14-17,20-21H2,1-2H3,(H,32,34)