2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonyl-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonyl-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(3-chloro-2,6-dimethoxy-benzoyl)-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(3-chloro-2,6-dimethoxyphenyl)-oxomethyl]-N-[2-(4-morpholinyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-(3-chloro-2,6-dimethoxybenzoyl)-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(3-chloro-2,6-dimethoxy-benzoyl)-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide Formula: C19H27ClN4O4S MolecularWeight: 442.96008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN4O4S/c1-26-15-5-4-14(20)17(27-2)16(15)18(25)23-7-3-8-24(23)19(29)21-6-9-22-10-12-28-13-11-22/h4-5H,3,6-13H2,1-2H3,(H,21,29)