S-[tris(4-fluorophenyl)methyl] piperidine-1-carbothioate

Systemtic Name: S-[tris(4-fluorophenyl)methyl] piperidine-1-carbothioate Openeye Name: S-[tris(4-fluorophenyl)methyl] piperidine-1-carbothioate CAS Name: 1-piperidinecarbothioic acid S-[tris(4-fluorophenyl)methyl] ester IUPAC Name: S-[tris(4-fluorophenyl)methyl] piperidine-1-carbothioate Traditional Name: piperidine-1-carbothioic acid S-[tris(4-fluorophenyl)methyl] ester Formula: C25H22F3NOS MolecularWeight: 441.50849

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)SC(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)C(=O)SC(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22F3NOS/c26-21-10-4-18(5-11-21)25(19-6-12-22(27)13-7-19,20-8-14-23(28)15-9-20)31-24(30)29-16-2-1-3-17-29/h4-15H,1-3,16-17H2