ethyl 4-[2-[(2-methylphenyl)methylsulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-methylphenyl)methylsulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(o-tolylmethylsulfanyl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(2-methylphenyl)methylthio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-methylphenyl)methylsulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-methylbenzyl)thio]acetyl]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)CSCC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=CC=C2C

InChI

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