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

Systemtic Name: ethyl 3-[[2-(2-methoxyethylcarbamothioyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(2-methoxyethylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[(2-methoxyethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-methoxyethylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(2-methoxyethylthiocarbamoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C17H24N4O4S MolecularWeight: 380.46186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCCOC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCCOC

InChI

InChI=1S/C17H24N4O4S/c1-3-25-15(22)13-6-4-7-14(12-13)19-16(23)20-9-5-10-21(20)17(26)18-8-11-24-2/h4,6-7,12H,3,5,8-11H2,1-2H3,(H,18,26)(H,19,23)