N-(4-ethylphenyl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]-1-benzofuran-2-carboxamide

Systemtic Name: N-(4-ethylphenyl)-3-[2-(phenylmethylsulfanyl)ethanoylamino]-1-benzofuran-2-carboxamide Openeye Name: 3-[(2-benzylsulfanylacetyl)amino]-N-(4-ethylphenyl)benzofuran-2-carboxamide CAS Name: N-(4-ethylphenyl)-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-2-benzofurancarboxamide IUPAC Name: 3-[(2-benzylsulfanylacetyl)amino]-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[[2-(benzylthio)acetyl]amino]-N-(4-ethylphenyl)coumarilamide Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)CSCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3O2)NC(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3S/c1-2-18-12-14-20(15-13-18)27-26(30)25-24(21-10-6-7-11-22(21)31-25)28-23(29)17-32-16-19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,27,30)(H,28,29)