ethyl 3-[[2-(pyridin-3-ylmethylcarbamothioyl)pyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-(pyridin-3-ylmethylcarbamothioyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(3-pyridylmethylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[2-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(pyridin-3-ylmethylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(3-pyridylmethylthiocarbamoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C20H23N5O3S/c1-2-28-18(26)16-7-3-8-17(12-16)23-19(27)24-10-5-11-25(24)20(29)22-14-15-6-4-9-21-13-15/h3-4,6-9,12-13H,2,5,10-11,14H2,1H3,(H,22,29)(H,23,27)