O-(3-naphthalen-1-ylpropyl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate

Systemtic Name: O-(3-naphthalen-1-ylpropyl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate Openeye Name: O-[3-(1-naphthyl)propyl] 1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarbothioic acid O-[3-(1-naphthalenyl)propyl] ester IUPAC Name: O-(3-naphthalen-1-ylpropyl) 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)piperidine-2-carbothioic acid O-[3-(1-naphthyl)propyl] ester Formula: C26H33NO3S MolecularWeight: 439.61012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=S)OCCCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=S)OCCCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C26H33NO3S/c1-4-26(2,3)23(28)24(29)27-17-8-7-16-22(27)25(31)30-18-10-14-20-13-9-12-19-11-5-6-15-21(19)20/h5-6,9,11-13,15,22H,4,7-8,10,14,16-18H2,1-3H3