ethyl 4-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3,4-dichlorophenyl)methylthio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3,4-dichlorobenzyl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H20Cl2N2O3S MolecularWeight: 391.3126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20Cl2N2O3S/c1-2-23-16(22)20-7-5-19(6-8-20)15(21)11-24-10-12-3-4-13(17)14(18)9-12/h3-4,9H,2,5-8,10-11H2,1H3