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

Systemtic Name: [5-(tert-butylcarbamothioylamino)pyridin-2-yl] 4-pyridin-2-ylpiperazine-1-carboxylate Openeye Name: [5-(tert-butylcarbamothioylamino)-2-pyridyl] 4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(2-pyridinyl)-1-piperazinecarboxylic acid [5-[[(tert-butylamino)-sulfanylidenemethyl]amino]-2-pyridinyl] ester IUPAC Name: [5-(tert-butylcarbamothioylamino)pyridin-2-yl] 4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 4-(2-pyridyl)piperazine-1-carboxylic acid [5-(tert-butylthiocarbamoylamino)-2-pyridyl] ester Formula: C20H26N6O2S MolecularWeight: 414.52444

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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=CC=CC=N3

Isomeric SMILES

CC(C)(C)NC(=S)NC1=CN=C(C=C1)OC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H26N6O2S/c1-20(2,3)24-18(29)23-15-7-8-17(22-14-15)28-19(27)26-12-10-25(11-13-26)16-6-4-5-9-21-16/h4-9,14H,10-13H2,1-3H3,(H2,23,24,29)