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

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbamothioyl)-N,N-diethyl-piperidine-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylcarbamothioyl)-N,N-diethyl-piperidine-3-carboxamide CAS Name: 1-[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylcarbamothioyl)-N,N-diethylpiperidine-3-carboxamide Traditional Name: 1-(1,3-benzodioxol-5-ylthiocarbamoyl)-N,N-diethyl-nipecotamide Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25N3O3S/c1-3-20(4-2)17(22)13-6-5-9-21(11-13)18(25)19-14-7-8-15-16(10-14)24-12-23-15/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,19,25)