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

Systemtic Name: ethyl 3-[[2-(furan-2-ylmethylcarbamothioyl)pyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-(2-furylmethylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[(2-furanylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(furan-2-ylmethylcarbamothioyl)pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(2-furfurylthiocarbamoyl)pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=S)NCC3=CC=CO3

InChI

InChI=1S/C19H22N4O4S/c1-2-26-17(24)14-6-3-7-15(12-14)21-18(25)22-9-5-10-23(22)19(28)20-13-16-8-4-11-27-16/h3-4,6-8,11-12H,2,5,9-10,13H2,1H3,(H,20,28)(H,21,25)