[5-(tert-butylcarbamothioylamino)pyridin-2-yl] 4-(5-fluoranylpyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: [5-(tert-butylcarbamothioylamino)pyridin-2-yl] 4-(5-fluoranylpyridin-2-yl)piperazine-1-carboxylate Openeye Name: [5-(tert-butylcarbamothioylamino)-2-pyridyl] 4-(5-fluoro-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(5-fluoro-2-pyridinyl)-1-piperazinecarboxylic acid [5-[[(tert-butylamino)-sulfanylidenemethyl]amino]-2-pyridinyl] ester IUPAC Name: [5-(tert-butylcarbamothioylamino)pyridin-2-yl] 4-(5-fluoropyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(5-fluoro-2-pyridyl)piperazine-1-carboxylic acid [5-(tert-butylthiocarbamoylamino)-2-pyridyl] ester Formula: C20H25FN6O2S MolecularWeight: 432.514903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NC1=CN=C(C=C1)OC(=O)N2CCN(CC2)C3=NC=C(C=C3)F

Isomeric SMILES

CC(C)(C)NC(=S)NC1=CN=C(C=C1)OC(=O)N2CCN(CC2)C3=NC=C(C=C3)F

InChI

InChI=1S/C20H25FN6O2S/c1-20(2,3)25-18(30)24-15-5-7-17(23-13-15)29-19(28)27-10-8-26(9-11-27)16-6-4-14(21)12-22-16/h4-7,12-13H,8-11H2,1-3H3,(H2,24,25,30)