2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]-N-(p-tolyl)acetamide CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-methylamino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[methyl(piperonylthiocarbamoyl)amino]-N-(p-tolyl)acetamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

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