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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylsulfonylethanoyl)pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylsulfonylacetyl)pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylsulfonyl-1-oxoethyl)-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylsulfonylacetyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2-mesylacetyl)-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C15H19N3O5S2 MolecularWeight: 385.45846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5S2/c1-25(20,21)9-14(19)17-5-2-6-18(17)15(24)16-8-11-3-4-12-13(7-11)23-10-22-12/h3-4,7H,2,5-6,8-10H2,1H3,(H,16,24)