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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-(3-pyridinylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NCC2=CN=CC=C2)C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(N(C1)C(=S)NCC2=CN=CC=C2)C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N4O3S/c24-18(10-14-4-5-16-17(9-14)26-13-25-16)22-7-2-8-23(22)19(27)21-12-15-3-1-6-20-11-15/h1,3-6,9,11H,2,7-8,10,12-13H2,(H,21,27)