N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyquinolin-2-yl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyquinolin-2-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxy-2-quinolinyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-homoveratryl-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=NC4=CC=CC=C4C(=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=NC4=CC=CC=C4C(=C3)OC)OC

InChI

InChI=1S/C25H28N4O4S/c1-31-21-10-9-17(15-23(21)33-3)11-12-26-25(34)29-14-6-13-28(29)24(30)20-16-22(32-2)18-7-4-5-8-19(18)27-20/h4-5,7-10,15-16H,6,11-14H2,1-3H3,(H,26,34)