tert-butyl 4-(3-chlorophenyl)-2-(2-methylsulfanylethyl)-5-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-chlorophenyl)-2-(2-methylsulfanylethyl)-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-chlorophenyl)-2-(2-methylsulfanylethyl)-5-oxo-piperazine-1-carboxylate CAS Name: 4-(3-chlorophenyl)-2-[2-(methylthio)ethyl]-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-chlorophenyl)-2-(2-methylsulfanylethyl)-5-oxopiperazine-1-carboxylate Traditional Name: 4-(3-chlorophenyl)-5-keto-2-[2-(methylthio)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25ClN2O3S MolecularWeight: 384.9207

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)N(CC1CCSC)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)N(CC1CCSC)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H25ClN2O3S/c1-18(2,3)24-17(23)21-12-16(22)20(11-15(21)8-9-25-4)14-7-5-6-13(19)10-14/h5-7,10,15H,8-9,11-12H2,1-4H3