tert-butyl 3-oxidanylidene-2-phenylsulfanyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-oxidanylidene-2-phenylsulfanyl-piperazine-1-carboxylate Openeye Name: tert-butyl 3-oxo-2-phenylsulfanyl-piperazine-1-carboxylate CAS Name: 3-oxo-2-(phenylthio)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-2-phenylsulfanylpiperazine-1-carboxylate Traditional Name: 3-keto-2-(phenylthio)piperazine-1-carboxylic acid tert-butyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC(=O)C1SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(=O)C1SC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3S/c1-15(2,3)20-14(19)17-10-9-16-12(18)13(17)21-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3,(H,16,18)