S-[3-(4-methoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate

Systemtic Name: S-[3-(4-methoxyphenyl)propyl] 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate Openeye Name: S-[3-(4-methoxyphenyl)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-(4-methoxyphenyl)propyl] ester IUPAC Name: S-[3-(4-methoxyphenyl)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-(4-methoxyphenyl)propyl] ester Formula: C23H33NO4S MolecularWeight: 419.57742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCCCC2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCCCC2=CC=C(C=C2)OC

InChI

InChI=1S/C23H33NO4S/c1-5-23(2,3)20(25)21(26)24-15-7-6-10-19(24)22(27)29-16-8-9-17-11-13-18(28-4)14-12-17/h11-14,19H,5-10,15-16H2,1-4H3