propyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidine-1-carboxylate

Systemtic Name: propyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidine-1-carboxylate Openeye Name: propyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidine-1-carboxylate CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinecarboxylic acid propyl ester IUPAC Name: propyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidine-1-carboxylate Traditional Name: 2-(piperonylthiocarbamoyl)pyrazolidine-1-carboxylic acid propyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-2-8-21-16(20)19-7-3-6-18(19)15(24)17-10-12-4-5-13-14(9-12)23-11-22-13/h4-5,9H,2-3,6-8,10-11H2,1H3,(H,17,24)