tert-butyl 4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-chloro-5-methylsulfanyl-benzoyl)piperazine-1-carboxylate CAS Name: 4-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chloro-5-methylsulfanylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-[2-chloro-5-(methylthio)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H23ClN2O3S MolecularWeight: 370.89412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)SC)Cl

InChI

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