ethyl 4-[2-(phenylmethylsulfanyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(phenylmethylsulfanyl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(2-benzylsulfanylpropanoyl)piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(phenylmethylthio)propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-benzylsulfanylpropanoyl)piperazine-1-carboxylate Traditional Name: 4-[2-(benzylthio)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)SCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(C)SCC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O3S/c1-3-22-17(21)19-11-9-18(10-12-19)16(20)14(2)23-13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3