tert-butyl 4-[2-(methylsulfanylmethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(methylsulfanylmethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(methylsulfanylmethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[(methylthio)methyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(methylsulfanylmethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(methylthio)methyl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H26N2O2S MolecularWeight: 322.46554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2CSC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2CSC

InChI

InChI=1S/C17H26N2O2S/c1-17(2,3)21-16(20)19-11-9-18(10-12-19)15-8-6-5-7-14(15)13-22-4/h5-8H,9-13H2,1-4H3