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

Systemtic Name: S-(2,2-diphenylethyl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate Openeye Name: S-(2,2-diphenylethyl) 1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarbothioic acid S-(2,2-diphenylethyl) ester IUPAC Name: S-(2,2-diphenylethyl) 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)piperidine-2-carbothioic acid S-(2,2-diphenylethyl) ester Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H33NO3S/c1-4-27(2,3)24(29)25(30)28-18-12-11-17-23(28)26(31)32-19-22(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,22-23H,4,11-12,17-19H2,1-3H3