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

Systemtic Name: S-(3-naphthalen-2-ylpropyl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate Openeye Name: S-[3-(2-naphthyl)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-naphthalenyl)propyl] ester IUPAC Name: S-(3-naphthalen-2-ylpropyl) 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-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(=O)SCCCC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCCCC2=CC3=CC=CC=C3C=C2

InChI

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