2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-1-carbothioamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-1-carbothioamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NC2=CC3=C(C=C2)OCCO3)C(=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(N(C1)C(=S)NC2=CC3=C(C=C2)OCCO3)C(=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O5S/c25-20(11-14-2-4-17-18(10-14)29-13-28-17)23-6-1-7-24(23)21(30)22-15-3-5-16-19(12-15)27-9-8-26-16/h2-5,10,12H,1,6-9,11,13H2,(H,22,30)