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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3-pyridin-2-ylpyrazol-1-yl)ethanoyl]pyrazolidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[3-(2-pyridyl)pyrazol-1-yl]acetyl]pyrazolidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-oxo-2-[3-(2-pyridinyl)-1-pyrazolyl]ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3-pyridin-2-ylpyrazol-1-yl)acetyl]pyrazolidine-1-carbothioamide Traditional Name: N-piperonyl-2-[2-[3-(2-pyridyl)pyrazol-1-yl]acetyl]pyrazolidine-1-carbothioamide Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)CN4C=CC(=N4)C5=CC=CC=N5

Isomeric SMILES

C1CN(N(C1)C(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)CN4C=CC(=N4)C5=CC=CC=N5

InChI

InChI=1S/C22H22N6O3S/c29-21(14-26-11-7-18(25-26)17-4-1-2-8-23-17)27-9-3-10-28(27)22(32)24-13-16-5-6-19-20(12-16)31-15-30-19/h1-2,4-8,11-12H,3,9-10,13-15H2,(H,24,32)