tert-butyl 4-[2-(4-methylphenyl)sulfanylphenyl]-3,5-bis(oxidanylidene)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-methylphenyl)sulfanylphenyl]-3,5-bis(oxidanylidene)piperazine-1-carboxylate Openeye Name: tert-butyl 3,5-dioxo-4-[2-(p-tolylsulfanyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-methylphenyl)thio]phenyl]-3,5-dioxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-methylphenyl)sulfanylphenyl]-3,5-dioxopiperazine-1-carboxylate Traditional Name: 3,5-diketo-4-[2-(p-tolylthio)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=CC=C2N3C(=O)CN(CC3=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=CC=C2N3C(=O)CN(CC3=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H24N2O4S/c1-15-9-11-16(12-10-15)29-18-8-6-5-7-17(18)24-19(25)13-23(14-20(24)26)21(27)28-22(2,3)4/h5-12H,13-14H2,1-4H3