2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide

Systemtic Name: 2-(3-chloranyl-2,6-dimethoxy-phenyl)carbonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide Openeye Name: 2-(3-chloro-2,6-dimethoxy-benzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide CAS Name: 2-[(3-chloro-2,6-dimethoxyphenyl)-oxomethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-(3-chloro-2,6-dimethoxybenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide Traditional Name: 2-(3-chloro-2,6-dimethoxy-benzoyl)-N-homoveratryl-pyrazolidine-1-carbothioamide Formula: C23H28ClN3O5S MolecularWeight: 494.00352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=C(C=CC(=C3OC)Cl)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=C(C=CC(=C3OC)Cl)OC)OC

InChI

InChI=1S/C23H28ClN3O5S/c1-29-17-8-6-15(14-19(17)31-3)10-11-25-23(33)27-13-5-12-26(27)22(28)20-18(30-2)9-7-16(24)21(20)32-4/h6-9,14H,5,10-13H2,1-4H3,(H,25,33)