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

Systemtic Name: 3-[1-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate Openeye Name: 3-[1-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carbothioate CAS Name: 3-[1-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarbothioate IUPAC Name: 3-[1-(2-chlorophenyl)propyl]-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbothioate Traditional Name: 3-[1-(2-chlorophenyl)propyl]-1-(2-keto-3,3-dimethyl-pentanoyl)thiopipecolinate Formula: C22H29ClNO3S- MolecularWeight: 422.98856

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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=C2Cl

Isomeric SMILES

CCC(C1CCCN(C1C(=S)[O-])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)/p-1