8-[(5,5-dimethyl-8-oxidanyl-8-oxidanylidene-octyl)carbamothioylamino]-4,4-dimethyl-octanoic acid

Systemtic Name: 8-[(5,5-dimethyl-8-oxidanyl-8-oxidanylidene-octyl)carbamothioylamino]-4,4-dimethyl-octanoic acid Openeye Name: 8-[(8-hydroxy-5,5-dimethyl-8-oxo-octyl)carbamothioylamino]-4,4-dimethyl-octanoic acid CAS Name: 8-[[[(8-hydroxy-5,5-dimethyl-8-oxooctyl)amino]-sulfanylidenemethyl]amino]-4,4-dimethyloctanoic acid IUPAC Name: 8-[(8-hydroxy-5,5-dimethyl-8-oxooctyl)carbamothioylamino]-4,4-dimethyloctanoic acid Traditional Name: 8-[(8-hydroxy-8-keto-5,5-dimethyl-octyl)thiocarbamoylamino]-4,4-dimethyl-caprylic acid Formula: C21H40N2O4S MolecularWeight: 416.6183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCNC(=S)NCCCCC(C)(C)CCC(=O)O)CCC(=O)O

Isomeric SMILES

CC(C)(CCCCNC(=S)NCCCCC(C)(C)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C21H40N2O4S/c1-20(2,13-9-17(24)25)11-5-7-15-22-19(28)23-16-8-6-12-21(3,4)14-10-18(26)27/h5-16H2,1-4H3,(H,24,25)(H,26,27)(H2,22,23,28)