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

Systemtic Name: but-3-enyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidine-1-carboxylate Openeye Name: but-3-enyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidine-1-carboxylate CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinecarboxylic acid but-3-enyl ester IUPAC Name: but-3-enyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidine-1-carboxylate Traditional Name: 2-(piperonylthiocarbamoyl)pyrazolidine-1-carboxylic acid but-3-enyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-2-3-9-22-17(21)20-8-4-7-19(20)16(25)18-11-13-5-6-14-15(10-13)24-12-23-14/h2,5-6,10H,1,3-4,7-9,11-12H2,(H,18,25)