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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-prop-2-enyl-pyrazolidine-1-carboxamide Openeye Name: N-allyl-2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidine-1-carboxamide CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-N-prop-2-enyl-1-pyrazolidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-prop-2-enylpyrazolidine-1-carboxamide Traditional Name: N-allyl-2-(piperonylthiocarbamoyl)pyrazolidine-1-carboxamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S/c1-2-6-17-15(21)19-7-3-8-20(19)16(24)18-10-12-4-5-13-14(9-12)23-11-22-13/h2,4-5,9H,1,3,6-8,10-11H2,(H,17,21)(H,18,24)