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

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-4-carboxylate CAS Name: 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperidine-4-carboxylate Traditional Name: 1-(piperonylthiocarbamoyl)isonipecotic acid ethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-2-21-16(20)13-5-7-19(8-6-13)17(24)18-10-12-3-4-14-15(9-12)23-11-22-14/h3-4,9,13H,2,5-8,10-11H2,1H3,(H,18,24)