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

Systemtic Name: 2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonyl-N-(4-sulfamoylphenyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(3-chloro-2,6-dimethoxy-benzoyl)-N-(4-sulfamoylphenyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(3-chloro-2,6-dimethoxyphenyl)-oxomethyl]-N-(4-sulfamoylphenyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(3-chloro-2,6-dimethoxybenzoyl)-N-(4-sulfamoylphenyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(3-chloro-2,6-dimethoxy-benzoyl)-N-(4-sulfamoylphenyl)pyrazolidine-1-carbothioamide Formula: C19H21ClN4O5S2 MolecularWeight: 484.97684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Cl)OC)C(=O)N2CCCN2C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC1=C(C(=C(C=C1)Cl)OC)C(=O)N2CCCN2C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H21ClN4O5S2/c1-28-15-9-8-14(20)17(29-2)16(15)18(25)23-10-3-11-24(23)19(30)22-12-4-6-13(7-5-12)31(21,26)27/h4-9H,3,10-11H2,1-2H3,(H,22,30)(H2,21,26,27)