methyl 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-4-carboxylate Openeye Name: methyl 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-4-carboxylate CAS Name: 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-4-carboxylate Traditional Name: 1-(piperonylthiocarbamoyl)isonipecotic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N2O4S/c1-20-15(19)12-4-6-18(7-5-12)16(23)17-9-11-2-3-13-14(8-11)22-10-21-13/h2-3,8,12H,4-7,9-10H2,1H3,(H,17,23)