N-(1,3-benzodioxol-5-yl)-1-[[(2S)-2-ethylhexyl]carbamothioyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[[(2S)-2-ethylhexyl]carbamothioyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[[(2S)-2-ethylhexyl]carbamothioyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[[(2S)-2-ethylhexyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[[(2S)-2-ethylhexyl]carbamothioyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[[(2S)-2-ethylhexyl]thiocarbamoyl]isonipecotamide Formula: C22H33N3O3S MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H33N3O3S/c1-3-5-6-16(4-2)14-23-22(29)25-11-9-17(10-12-25)21(26)24-18-7-8-19-20(13-18)28-15-27-19/h7-8,13,16-17H,3-6,9-12,14-15H2,1-2H3,(H,23,29)(H,24,26)/t16-/m0/s1