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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-methylbutyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[isopentyl(2-thienylmethyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-methylbutyl(thiophen-2-ylmethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-methylbutyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[isoamyl(2-thenyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=CS1)CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CCN(CC1=CC=CS1)CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O4S/c1-16(2)7-8-26(14-19-4-3-9-31-19)13-18-11-20(25-30-18)23(27)24-12-17-5-6-21-22(10-17)29-15-28-21/h3-6,9-11,16H,7-8,12-15H2,1-2H3,(H,24,27)