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

Systemtic Name: methyl 4-[[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]methyl]benzoate Openeye Name: methyl 4-[[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]methyl]benzoate CAS Name: 4-[[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1,3-benzodioxol-5-ylmethylcarbamothioyl(methyl)amino]methyl]benzoate Traditional Name: 4-[[methyl(piperonylthiocarbamoyl)amino]methyl]benzoic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-21(11-13-3-6-15(7-4-13)18(22)23-2)19(26)20-10-14-5-8-16-17(9-14)25-12-24-16/h3-9H,10-12H2,1-2H3,(H,20,26)