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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[phenethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[phenethyl(2-thienylmethyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[phenethyl(thiophen-2-ylmethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[phenethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[phenethyl(2-thenyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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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)CC5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NOC(=C3)CN(CCC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C26H25N3O4S/c30-26(27-15-20-8-9-24-25(13-20)32-18-31-24)23-14-21(33-28-23)16-29(17-22-7-4-12-34-22)11-10-19-5-2-1-3-6-19/h1-9,12-14H,10-11,15-18H2,(H,27,30)