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

Systemtic Name: 3-[1-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioic S-acid Openeye Name: 3-[1-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carbothioic S-acid CAS Name: 3-[1-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarbothioic S-acid IUPAC Name: 3-[1-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbothioic S-acid Traditional Name: 3-[1-(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(C1CCCN(C1C(=O)S)C(=O)C(=O)C(C)(C)CC)C2=CC=CC=C2Cl

Isomeric SMILES

CCC(C1CCCN(C1C(=O)S)C(=O)C(=O)C(C)(C)CC)C2=CC=CC=C2Cl

InChI

InChI=1S/C22H30ClNO3S/c1-5-14(15-10-7-8-12-17(15)23)16-11-9-13-24(18(16)21(27)28)20(26)19(25)22(3,4)6-2/h7-8,10,12,14,16,18H,5-6,9,11,13H2,1-4H3,(H,27,28)