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

Systemtic Name: tert-butyl 4-[(4-fluorophenyl)carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-fluorobenzoyl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-fluorobenzoyl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(4-fluorobenzoyl)thiocarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H22FN3O3S MolecularWeight: 367.438283

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C17H22FN3O3S/c1-17(2,3)24-16(23)21-10-8-20(9-11-21)15(25)19-14(22)12-4-6-13(18)7-5-12/h4-7H,8-11H2,1-3H3,(H,19,22,25)