1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-[1-(3-fluorophenyl)propyl]piperidine-2-carbothioate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-[1-(3-fluorophenyl)propyl]piperidine-2-carbothioate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-3-[1-(3-fluorophenyl)propyl]piperidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-3-[1-(3-fluorophenyl)propyl]-2-piperidinecarbothioate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-3-[1-(3-fluorophenyl)propyl]piperidine-2-carbothioate Traditional Name: 3-[1-(3-fluorophenyl)propyl]-1-(2-keto-3,3-dimethyl-pentanoyl)thiopipecolinate Formula: C22H29FNO3S- MolecularWeight: 406.533963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN(C1C(=S)[O-])C(=O)C(=O)C(C)(C)CC)C2=CC(=CC=C2)F

Isomeric SMILES

CCC(C1CCCN(C1C(=S)[O-])C(=O)C(=O)C(C)(C)CC)C2=CC(=CC=C2)F

InChI

InChI=1S/C22H30FNO3S/c1-5-16(14-9-7-10-15(23)13-14)17-11-8-12-24(18(17)21(27)28)20(26)19(25)22(3,4)6-2/h7,9-10,13,16-18H,5-6,8,11-12H2,1-4H3,(H,27,28)/p-1