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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(2-oxidanylidenepyrrolidin-1-yl)propyl-thiophen-2-ylcarbonyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(2-oxopyrrolidin-1-yl)propyl-(thiophene-2-carbonyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(2-oxo-1-pyrrolidinyl)propyl-[oxo(thiophen-2-yl)methyl]amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(2-oxopyrrolidin-1-yl)propyl-(thiophene-2-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[3-(2-ketopyrrolidino)propyl-(2-thenoyl)amino]methyl]-N-piperonyl-isoxazole-3-carboxamide Formula: C25H26N4O6S MolecularWeight: 510.56214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCN(CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CC(=O)N(C1)CCCN(CC2=CC(=NO2)C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H26N4O6S/c30-23-5-1-8-28(23)9-3-10-29(25(32)22-4-2-11-36-22)15-18-13-19(27-35-18)24(31)26-14-17-6-7-20-21(12-17)34-16-33-20/h2,4,6-7,11-13H,1,3,5,8-10,14-16H2,(H,26,31)