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

Systemtic Name: tert-butyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-3,5-bis(oxidanylidene)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-3,5-dioxo-piperazine-1-carboxylate CAS Name: 4-[2-[(4-chlorophenyl)thio]phenyl]-3,5-dioxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-chlorophenyl)sulfanylphenyl]-3,5-dioxopiperazine-1-carboxylate Traditional Name: 4-[2-[(4-chlorophenyl)thio]phenyl]-3,5-diketo-piperazine-1-carboxylic acid tert-butyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)N(C(=O)C1)C2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)N(C(=O)C1)C2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O4S/c1-21(2,3)28-20(27)23-12-18(25)24(19(26)13-23)16-6-4-5-7-17(16)29-15-10-8-14(22)9-11-15/h4-11H,12-13H2,1-3H3