tert-butyl 4-[[(2-fluorophenyl)carbothioylamino]methyl]-4-phenyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(2-fluorophenyl)carbothioylamino]methyl]-4-phenyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(2-fluorobenzenecarbothioyl)amino]methyl]-4-phenyl-piperidine-1-carboxylate CAS Name: 4-[[[(2-fluorophenyl)-sulfanylidenemethyl]amino]methyl]-4-phenyl-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(2-fluorobenzenecarbothioyl)amino]methyl]-4-phenylpiperidine-1-carboxylate Traditional Name: 4-[[(2-fluorothiobenzoyl)amino]methyl]-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester Formula: C24H29FN2O2S MolecularWeight: 428.562663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CNC(=S)C2=CC=CC=C2F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CNC(=S)C2=CC=CC=C2F)C3=CC=CC=C3

InChI

InChI=1S/C24H29FN2O2S/c1-23(2,3)29-22(28)27-15-13-24(14-16-27,18-9-5-4-6-10-18)17-26-21(30)19-11-7-8-12-20(19)25/h4-12H,13-17H2,1-3H3,(H,26,30)