ethyl 4-[2-(4-chlorophenyl)sulfanylbutanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-chlorophenyl)sulfanylbutanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-chlorophenyl)sulfanylbutanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-chlorophenyl)thio]-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-chlorophenyl)sulfanylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-chlorophenyl)thio]butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23ClN2O3S MolecularWeight: 370.89412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C(=O)OCC)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C(=O)OCC)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H23ClN2O3S/c1-3-15(24-14-7-5-13(18)6-8-14)16(21)19-9-11-20(12-10-19)17(22)23-4-2/h5-8,15H,3-4,9-12H2,1-2H3