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

Systemtic Name: ethyl 3-[[2-(methylcarbamothioyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(methylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[methylamino(sulfanylidene)methyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(methylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(methylthiocarbamoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3S/c1-3-22-13(20)11-6-4-7-12(10-11)17-14(21)18-8-5-9-19(18)15(23)16-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,16,23)(H,17,21)