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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-3-17(4-2)26(14-19-6-5-9-31-19)13-18-11-20(25-30-18)23(27)24-12-16-7-8-21-22(10-16)29-15-28-21/h5-11,17H,3-4,12-15H2,1-2H3,(H,24,27)