N-(1,3-benzodioxol-5-ylmethyl)-5-[[phenethyl(thiophen-2-ylcarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[phenethyl(thiophen-2-ylcarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[phenethyl(thiophene-2-carbonyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[[oxo(thiophen-2-yl)methyl]-phenethylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[phenethyl(thiophene-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[phenethyl(2-thenoyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)CN(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)CN(CCC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H23N3O5S/c30-25(27-15-19-8-9-22-23(13-19)33-17-32-22)21-14-20(34-28-21)16-29(26(31)24-7-4-12-35-24)11-10-18-5-2-1-3-6-18/h1-9,12-14H,10-11,15-17H2,(H,27,30)