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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C(=O)N1)C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

Isomeric SMILES

CN(CC1=CC=C(C(=O)N1)C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

InChI

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