N-(1,3-benzodioxol-5-ylmethyl)-2-cyclobutylcarbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyclobutylcarbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclobutanecarbonyl)pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclobutyl(oxo)methyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclobutanecarbonyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(cyclobutanecarbonyl)-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(C1)C(=O)N2CCCN2C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H21N3O3S/c21-16(13-3-1-4-13)19-7-2-8-20(19)17(24)18-10-12-5-6-14-15(9-12)23-11-22-14/h5-6,9,13H,1-4,7-8,10-11H2,(H,18,24)