2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-pentyl-pyrazolidine-1-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-pentyl-pyrazolidine-1-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-pentyl-pyrazolidine-1-carboxamide CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-N-pentyl-1-pyrazolidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-pentylpyrazolidine-1-carboxamide Traditional Name: N-amyl-2-(piperonylthiocarbamoyl)pyrazolidine-1-carboxamide Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCNC(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H26N4O3S/c1-2-3-4-8-19-17(23)21-9-5-10-22(21)18(26)20-12-14-6-7-15-16(11-14)25-13-24-15/h6-7,11H,2-5,8-10,12-13H2,1H3,(H,19,23)(H,20,26)