N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methylphenyl)methyl-thiophen-2-ylcarbonyl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methylphenyl)methyl-thiophen-2-ylcarbonyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[p-tolylmethyl(thiophene-2-carbonyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methylphenyl)methyl-[oxo(thiophen-2-yl)methyl]amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[(4-methylphenyl)methyl-(thiophene-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[(4-methylbenzyl)-(2-thenoyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H23N3O5S/c1-17-4-6-18(7-5-17)14-29(26(31)24-3-2-10-35-24)15-20-12-21(28-34-20)25(30)27-13-19-8-9-22-23(11-19)33-16-32-22/h2-12H,13-16H2,1H3,(H,27,30)