N-[6-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-6-oxidanylidene-hexyl]ethanamide

Systemtic Name: N-[6-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-6-oxidanylidene-hexyl]ethanamide Openeye Name: N-[6-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-6-oxo-hexyl]acetamide CAS Name: N-[6-[2-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-6-oxohexyl]acetamide IUPAC Name: N-[6-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-6-oxohexyl]acetamide Traditional Name: N-[6-keto-6-[2-(piperonylthiocarbamoyl)pyrazolidin-1-yl]hexyl]acetamide Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCCC(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)NCCCCCC(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H28N4O4S/c1-15(25)21-9-4-2-3-6-19(26)23-10-5-11-24(23)20(29)22-13-16-7-8-17-18(12-16)28-14-27-17/h7-8,12H,2-6,9-11,13-14H2,1H3,(H,21,25)(H,22,29)