N-(furan-2-ylmethyl)-2-(4-methoxyquinolin-2-yl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(furan-2-ylmethyl)-2-(4-methoxyquinolin-2-yl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(2-furylmethyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioamide CAS Name: N-(2-furanylmethyl)-2-[(4-methoxy-2-quinolinyl)-oxomethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(furan-2-ylmethyl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-(2-furfuryl)-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCCN3C(=S)NCC4=CC=CO4

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCCN3C(=S)NCC4=CC=CO4

InChI

InChI=1S/C20H20N4O3S/c1-26-18-12-17(22-16-8-3-2-7-15(16)18)19(25)23-9-5-10-24(23)20(28)21-13-14-6-4-11-27-14/h2-4,6-8,11-12H,5,9-10,13H2,1H3,(H,21,28)