tert-butyl 4-[4-chloranyl-2-(4-methoxyphenyl)sulfanyl-phenyl]-3,5-bis(oxidanylidene)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-chloranyl-2-(4-methoxyphenyl)sulfanyl-phenyl]-3,5-bis(oxidanylidene)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-chloro-2-(4-methoxyphenyl)sulfanyl-phenyl]-3,5-dioxo-piperazine-1-carboxylate CAS Name: 4-[4-chloro-2-[(4-methoxyphenyl)thio]phenyl]-3,5-dioxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-chloro-2-(4-methoxyphenyl)sulfanylphenyl]-3,5-dioxopiperazine-1-carboxylate Traditional Name: 4-[4-chloro-2-[(4-methoxyphenyl)thio]phenyl]-3,5-diketo-piperazine-1-carboxylic acid tert-butyl ester Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)N(C(=O)C1)C2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)N(C(=O)C1)C2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23ClN2O5S/c1-22(2,3)30-21(28)24-12-19(26)25(20(27)13-24)17-10-5-14(23)11-18(17)31-16-8-6-15(29-4)7-9-16/h5-11H,12-13H2,1-4H3