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

Systemtic Name: tert-butyl 4-[2-(4-fluorophenyl)sulfanyl-5-methyl-phenyl]-3,5-bis(oxidanylidene)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-fluorophenyl)sulfanyl-5-methyl-phenyl]-3,5-dioxo-piperazine-1-carboxylate CAS Name: 4-[2-[(4-fluorophenyl)thio]-5-methylphenyl]-3,5-dioxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-3,5-dioxopiperazine-1-carboxylate Traditional Name: 4-[2-[(4-fluorophenyl)thio]-5-methyl-phenyl]-3,5-diketo-piperazine-1-carboxylic acid tert-butyl ester Formula: C22H23FN2O4S MolecularWeight: 430.492423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)F)N3C(=O)CN(CC3=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)F)N3C(=O)CN(CC3=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H23FN2O4S/c1-14-5-10-18(30-16-8-6-15(23)7-9-16)17(11-14)25-19(26)12-24(13-20(25)27)21(28)29-22(2,3)4/h5-11H,12-13H2,1-4H3