2-(4-methoxyquinolin-2-yl)carbonyl-N-(2-methylprop-2-enyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(4-methoxyquinolin-2-yl)carbonyl-N-(2-methylprop-2-enyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(4-methoxyquinoline-2-carbonyl)-N-(2-methylallyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(4-methoxy-2-quinolinyl)-oxomethyl]-N-(2-methylprop-2-enyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(4-methoxyquinoline-2-carbonyl)-N-(2-methylprop-2-enyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(4-methoxyquinoline-2-carbonyl)-N-(2-methylallyl)pyrazolidine-1-carbothioamide Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CCCN1C(=O)C2=NC3=CC=CC=C3C(=C2)OC

Isomeric SMILES

CC(=C)CNC(=S)N1CCCN1C(=O)C2=NC3=CC=CC=C3C(=C2)OC

InChI

InChI=1S/C19H22N4O2S/c1-13(2)12-20-19(26)23-10-6-9-22(23)18(24)16-11-17(25-3)14-7-4-5-8-15(14)21-16/h4-5,7-8,11H,1,6,9-10,12H2,2-3H3,(H,20,26)