2-(4-methoxyquinolin-2-yl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-(4-methoxyquinolin-2-yl)carbonyl-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-(4-methoxyquinoline-2-carbonyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[(4-methoxy-2-quinolinyl)-oxomethyl]-N-(3-pyridinylmethyl)-1-pyrazolidinecarbothioamide IUPAC Name: 2-(4-methoxyquinoline-2-carbonyl)-N-(pyridin-3-ylmethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-(4-methoxyquinoline-2-carbonyl)-N-(3-pyridylmethyl)pyrazolidine-1-carbothioamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCCN3C(=S)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCCN3C(=S)NCC4=CN=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-28-19-12-18(24-17-8-3-2-7-16(17)19)20(27)25-10-5-11-26(25)21(29)23-14-15-6-4-9-22-13-15/h2-4,6-9,12-13H,5,10-11,14H2,1H3,(H,23,29)