ethyl 4-[3-(phenylmethylsulfanyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(phenylmethylsulfanyl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(3-benzylsulfanylpropanoyl)piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-(phenylmethylthio)propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-benzylsulfanylpropanoyl)piperazine-1-carboxylate Traditional Name: 4-[3-(benzylthio)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCSCC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O3S/c1-2-22-17(21)19-11-9-18(10-12-19)16(20)8-13-23-14-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3