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

Systemtic Name: 2-[3-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioic S-acid Openeye Name: 2-[3-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carbothioic S-acid CAS Name: 2-[3-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarbothioic S-acid IUPAC Name: 2-[3-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbothioic S-acid Traditional Name: 2-[3-(2-chlorophenyl)propyl]-1-(2-keto-3,3-dimethyl-pentanoyl)thiopipecolinic acid Formula: C22H30ClNO3S MolecularWeight: 423.9965

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1(CCCC2=CC=CC=C2Cl)C(=O)S

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1(CCCC2=CC=CC=C2Cl)C(=O)S

InChI

InChI=1S/C22H30ClNO3S/c1-4-21(2,3)18(25)19(26)24-15-8-7-13-22(24,20(27)28)14-9-11-16-10-5-6-12-17(16)23/h5-6,10,12H,4,7-9,11,13-15H2,1-3H3,(H,27,28)