N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,6-dimethoxypyridin-3-yl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,6-dimethoxypyridin-3-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2,6-dimethoxynicotinoyl)-N-homoveratryl-pyrazolidine-1-carbothioamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=C(N=C(C=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=C(N=C(C=C3)OC)OC)OC

InChI

InChI=1S/C22H28N4O5S/c1-28-17-8-6-15(14-18(17)29-2)10-11-23-22(32)26-13-5-12-25(26)21(27)16-7-9-19(30-3)24-20(16)31-4/h6-9,14H,5,10-13H2,1-4H3,(H,23,32)