ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O3S/c1-2-27-21(26)24-13-11-23(12-14-24)20(25)17-5-3-16(4-6-17)15-28-19-9-7-18(22)8-10-19/h3-10H,2,11-15H2,1H3