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

Systemtic Name: S-[3-(2-chlorophenyl)propyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate Openeye Name: S-[3-(2-chlorophenyl)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-(2-chlorophenyl)propyl] ester IUPAC Name: S-[3-(2-chlorophenyl)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-(2-chlorophenyl)propyl] ester Formula: C22H30ClNO3S MolecularWeight: 423.9965

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCCCC2=CC=CC=C2Cl

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCCCC2=CC=CC=C2Cl

InChI

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