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

Systemtic Name: S-[3-(3-fluorophenyl)propyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate Openeye Name: S-[3-(3-fluorophenyl)propyl] 1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarbothioic acid S-[3-(3-fluorophenyl)propyl] ester IUPAC Name: S-[3-(3-fluorophenyl)propyl] 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)piperidine-2-carbothioic acid S-[3-(3-fluorophenyl)propyl] ester Formula: C22H30FNO3S MolecularWeight: 407.541903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCCCC2=CC(=CC=C2)F

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCCCC2=CC(=CC=C2)F

InChI

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