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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(furan-2-ylcarbonyl)pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(furan-2-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-furanyl(oxo)methyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(furan-2-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2-furoyl)-N-piperonyl-pyrazolidine-1-carbothioamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CO4

InChI

InChI=1S/C17H17N3O4S/c21-16(14-3-1-8-22-14)19-6-2-7-20(19)17(25)18-10-12-4-5-13-15(9-12)24-11-23-13/h1,3-5,8-9H,2,6-7,10-11H2,(H,18,25)