S-(4-phenylbutyl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate

Systemtic Name: S-(4-phenylbutyl) 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)piperidine-2-carbothioate Openeye Name: S-(4-phenylbutyl) 1-(3,3-dimethyl-2-oxo-pentanoyl)piperidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-piperidinecarbothioic acid S-(4-phenylbutyl) ester IUPAC Name: S-(4-phenylbutyl) 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)piperidine-2-carbothioic acid S-(4-phenylbutyl) ester Formula: C23H33NO3S MolecularWeight: 403.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCCCCC2=CC=CC=C2

InChI

InChI=1S/C23H33NO3S/c1-4-23(2,3)20(25)21(26)24-16-10-8-15-19(24)22(27)28-17-11-9-14-18-12-6-5-7-13-18/h5-7,12-13,19H,4,8-11,14-17H2,1-3H3