2-(2,6-dimethoxypyridin-3-yl)carbonyl-N-(2-methylpropyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(2,6-dimethoxypyridin-3-yl)carbonyl-N-(2-methylpropyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(2,6-dimethoxypyridine-3-carbonyl)-N-isobutyl-pyrazolidine-1-carbothioamide CAS Name: 2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-N-(2-methylpropyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(2,6-dimethoxypyridine-3-carbonyl)-N-(2-methylpropyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2,6-dimethoxynicotinoyl)-N-isobutyl-pyrazolidine-1-carbothioamide Formula: C16H24N4O3S MolecularWeight: 352.45176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N1CCCN1C(=O)C2=C(N=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CNC(=S)N1CCCN1C(=O)C2=C(N=C(C=C2)OC)OC

InChI

InChI=1S/C16H24N4O3S/c1-11(2)10-17-16(24)20-9-5-8-19(20)15(21)12-6-7-13(22-3)18-14(12)23-4/h6-7,11H,5,8-10H2,1-4H3,(H,17,24)