tert-butyl 4-[2-(2-cyanophenyl)sulfanylphenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2-cyanophenyl)sulfanylphenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-cyanophenyl)sulfanylbenzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-cyanophenyl)sulfanylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-cyanophenyl)thio]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C23H25N3O3S/c1-23(2,3)29-22(28)26-14-12-25(13-15-26)21(27)18-9-5-7-11-20(18)30-19-10-6-4-8-17(19)16-24/h4-11H,12-15H2,1-3H3