N-(1,3-benzodioxol-5-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[[methyl(3-thienylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[[methyl(3-thiophenylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 2-keto-6-[[methyl(3-thenyl)amino]methyl]-N-piperonyl-1H-pyridine-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1=CSC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4S/c1-24(10-15-6-7-29-12-15)11-16-3-4-17(21(26)23-16)20(25)22-9-14-2-5-18-19(8-14)28-13-27-18/h2-8,12H,9-11,13H2,1H3,(H,22,25)(H,23,26)