2-(2,6-dimethoxypyridin-3-yl)carbonyl-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(2,6-dimethoxypyridin-3-yl)carbonyl-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(2,6-dimethoxypyridine-3-carbonyl)-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-N-[2-(4-morpholinyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-(2,6-dimethoxypyridine-3-carbonyl)-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(2,6-dimethoxynicotinoyl)-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide Formula: C18H27N5O4S MolecularWeight: 409.50308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=S)NCCN3CCOCC3)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=S)NCCN3CCOCC3)OC

InChI

InChI=1S/C18H27N5O4S/c1-25-15-5-4-14(16(20-15)26-2)17(24)22-7-3-8-23(22)18(28)19-6-9-21-10-12-27-13-11-21/h4-5H,3,6-13H2,1-2H3,(H,19,28)