methyl 2-[[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate

Systemtic Name: methyl 2-[[2-(4-methoxyquinolin-2-yl)carbonylpyrazolidin-1-yl]carbothioylamino]ethanoate Openeye Name: methyl 2-[[2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate CAS Name: 2-[[[2-[(4-methoxy-2-quinolinyl)-oxomethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioyl]amino]acetate Traditional Name: 2-[[2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carbothioyl]amino]acetic acid methyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCCN3C(=S)NCC(=O)OC

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)N3CCCN3C(=S)NCC(=O)OC

InChI

InChI=1S/C18H20N4O4S/c1-25-15-10-14(20-13-7-4-3-6-12(13)15)17(24)21-8-5-9-22(21)18(27)19-11-16(23)26-2/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,19,27)