2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonyl-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide

Systemtic Name: 2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonyl-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide Openeye Name: 2-(3-chloro-2,6-dimethoxy-benzoyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide CAS Name: 2-[(3-chloro-2,6-dimethoxyphenyl)-oxomethyl]-N-[(2,3-dimethoxyphenyl)methyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-(3-chloro-2,6-dimethoxybenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide Traditional Name: 2-(3-chloro-2,6-dimethoxy-benzoyl)-N-o-veratryl-pyrazolidine-1-carbothioamide Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Cl)OC)C(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)Cl)OC)C(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H26ClN3O5S/c1-28-16-10-9-15(23)20(31-4)18(16)21(27)25-11-6-12-26(25)22(32)24-13-14-7-5-8-17(29-2)19(14)30-3/h5,7-10H,6,11-13H2,1-4H3,(H,24,32)