tert-butyl 4-[(4-phenylphenyl)carbonylcarbamothioyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-phenylphenyl)carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-phenylbenzoyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(4-phenylbenzoyl)thiocarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3S/c1-23(2,3)29-22(28)26-15-13-25(14-16-26)21(30)24-20(27)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3,(H,24,27,30)