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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-2-(4-phenylbutyl)piperidine-2-carbothioate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-2-(4-phenylbutyl)piperidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-2-(4-phenylbutyl)-2-piperidinecarbothioate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-2-(4-phenylbutyl)piperidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-pentanoyl)-2-(4-phenylbutyl)thiopipecolinate Formula: C23H32NO3S- MolecularWeight: 402.57008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1(CCCCC2=CC=CC=C2)C(=S)[O-]

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1(CCCCC2=CC=CC=C2)C(=S)[O-]

InChI

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