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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCCC1(CC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)S

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCC1(CC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)S

InChI

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