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

Systemtic Name: 5-[[1,3-benzodioxol-5-ylcarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[[1,3-benzodioxole-5-carbonyl(2-thienylmethyl)amino]methyl]-N-isobutyl-isoxazole-3-carboxamide CAS Name: 5-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-3-isoxazolecarboxamide IUPAC Name: 5-[[1,3-benzodioxole-5-carbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: N-isobutyl-5-[[piperonyloyl(2-thenyl)amino]methyl]isoxazole-3-carboxamide Formula: C22H23N3O5S MolecularWeight: 441.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=NOC(=C1)CN(CC2=CC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CNC(=O)C1=NOC(=C1)CN(CC2=CC=CS2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O5S/c1-14(2)10-23-21(26)18-9-16(30-24-18)11-25(12-17-4-3-7-31-17)22(27)15-5-6-19-20(8-15)29-13-28-19/h3-9,14H,10-13H2,1-2H3,(H,23,26)