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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dimethoxypyridin-3-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-2-(2,6-dimethoxynicotinoyl)pyrazolidine-1-carbothioamide Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=S)NCCC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=S)NCCC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C20H23ClN4O3S/c1-27-17-9-8-16(18(23-17)28-2)19(26)24-12-3-13-25(24)20(29)22-11-10-14-4-6-15(21)7-5-14/h4-9H,3,10-13H2,1-2H3,(H,22,29)