N-(1,3-benzodioxol-5-yl)-1-(3-methylsulfanylpropylcarbamothioyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(3-methylsulfanylpropylcarbamothioyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-methylsulfanylpropylcarbamothioyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[3-(methylthio)propylamino]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-methylsulfanylpropylcarbamothioyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[3-(methylthio)propylthiocarbamoyl]isonipecotamide Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3S2/c1-26-10-2-7-19-18(25)21-8-5-13(6-9-21)17(22)20-14-3-4-15-16(11-14)24-12-23-15/h3-4,11,13H,2,5-10,12H2,1H3,(H,19,25)(H,20,22)