4-[[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]methyl]-N-methylbenzamide Traditional Name: N-methyl-4-[[methyl(piperonylthiocarbamoyl)amino]methyl]benzamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21N3O3S/c1-20-18(23)15-6-3-13(4-7-15)11-22(2)19(26)21-10-14-5-8-16-17(9-14)25-12-24-16/h3-9H,10-12H2,1-2H3,(H,20,23)(H,21,26)