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

Systemtic Name: ethyl 4-[2-[(4-bromophenyl)methylsulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-bromophenyl)methylsulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-bromophenyl)methylthio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-bromophenyl)methylsulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-bromobenzyl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21BrN2O3S MolecularWeight: 401.31854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H21BrN2O3S/c1-2-22-16(21)19-9-7-18(8-10-19)15(20)12-23-11-13-3-5-14(17)6-4-13/h3-6H,2,7-12H2,1H3