tert-butyl 4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-phenylsulfanylpyridin-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-phenylsulfanylpyridine-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-phenylsulfanylpyridine-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-[2-(phenylthio)nicotinoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)27-20(26)24-14-12-23(13-15-24)19(25)17-10-7-11-22-18(17)28-16-8-5-4-6-9-16/h4-11H,12-15H2,1-3H3