2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-(2-methylprop-2-enyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-(2-methylprop-2-enyl)pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2-methylallyl)pyrazolidine-1-carbothioamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-(2-methylprop-2-enyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2-methylprop-2-enyl)pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2-methylallyl)pyrazolidine-1-carbothioamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=C)CNC(=S)N1CCCN1C(=O)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21N3O3S/c1-12(2)10-18-17(24)20-7-3-6-19(20)16(21)9-13-4-5-14-15(8-13)23-11-22-14/h4-5,8H,1,3,6-7,9-11H2,2H3,(H,18,24)