N-(1,3-benzodioxol-5-yl)-1-[(1-ethylpyrrolidin-2-yl)methylcarbamothioyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(1-ethylpyrrolidin-2-yl)methylcarbamothioyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(1-ethylpyrrolidin-2-yl)methylcarbamothioyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[(1-ethyl-2-pyrrolidinyl)methylamino]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(1-ethylpyrrolidin-2-yl)methylcarbamothioyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(1-ethylpyrrolidin-2-yl)methylthiocarbamoyl]isonipecotamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1CCCC1CNC(=S)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H30N4O3S/c1-2-24-9-3-4-17(24)13-22-21(29)25-10-7-15(8-11-25)20(26)23-16-5-6-18-19(12-16)28-14-27-18/h5-6,12,15,17H,2-4,7-11,13-14H2,1H3,(H,22,29)(H,23,26)