4-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-N-methyl-4-oxidanylidene-butanamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-N-methyl-4-oxidanylidene-butanamide Openeye Name: 4-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-N-methyl-4-oxo-butanamide CAS Name: 4-[2-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-N-methyl-4-oxobutanamide IUPAC Name: 4-[2-(1,3-benzodioxol-5-ylmethylcarbamothioyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide Traditional Name: 4-keto-N-methyl-4-[2-(piperonylthiocarbamoyl)pyrazolidin-1-yl]butyramide Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCC(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CNC(=O)CCC(=O)N1CCCN1C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H22N4O4S/c1-18-15(22)5-6-16(23)20-7-2-8-21(20)17(26)19-10-12-3-4-13-14(9-12)25-11-24-13/h3-4,9H,2,5-8,10-11H2,1H3,(H,18,22)(H,19,26)