N-[(2,3-dimethoxyphenyl)methyl]-2-(2,6-dimethoxypyridin-3-yl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(2,6-dimethoxypyridin-3-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2,6-dimethoxynicotinoyl)-N-o-veratryl-pyrazolidine-1-carbothioamide Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC)OC

InChI

InChI=1S/C21H26N4O5S/c1-27-16-8-5-7-14(18(16)29-3)13-22-21(31)25-12-6-11-24(25)20(26)15-9-10-17(28-2)23-19(15)30-4/h5,7-10H,6,11-13H2,1-4H3,(H,22,31)