1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N,N-diethylpiperidine-3-carboxamide Traditional Name: N,N-diethyl-1-(piperonylthiocarbamoyl)nipecotamide Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H27N3O3S/c1-3-21(4-2)18(23)15-6-5-9-22(12-15)19(26)20-11-14-7-8-16-17(10-14)25-13-24-16/h7-8,10,15H,3-6,9,11-13H2,1-2H3,(H,20,26)