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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCN(CC1)C2=CC=CC=C2CSC

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1)C2=CC=CC=C2CSC

InChI

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