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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C1CCCN(C1C(=O)S)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)