N-(1,3-benzodioxol-5-yl)-1-[3-(dimethylamino)propylcarbamothioyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[3-(dimethylamino)propylcarbamothioyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[3-(dimethylamino)propylcarbamothioyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[3-(dimethylamino)propylcarbamothioyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[3-(dimethylamino)propylthiocarbamoyl]isonipecotamide Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C)CCCNC(=S)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H28N4O3S/c1-22(2)9-3-8-20-19(27)23-10-6-14(7-11-23)18(24)21-15-4-5-16-17(12-15)26-13-25-16/h4-5,12,14H,3,6-11,13H2,1-2H3,(H,20,27)(H,21,24)