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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2-furylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-(2-furanylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2-furfuryl)pyrazolidine-1-carbothioamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NCC2=CC=CO2)C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(N(C1)C(=S)NCC2=CC=CO2)C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19N3O4S/c22-17(10-13-4-5-15-16(9-13)25-12-24-15)20-6-2-7-21(20)18(26)19-11-14-3-1-8-23-14/h1,3-5,8-9H,2,6-7,10-12H2,(H,19,26)