7-[(5,5-dimethyl-7-oxidanyl-heptyl)carbamothioylamino]-3,3-dimethyl-heptanoic acid

Systemtic Name: 7-[(5,5-dimethyl-7-oxidanyl-heptyl)carbamothioylamino]-3,3-dimethyl-heptanoic acid Openeye Name: 7-[(7-hydroxy-5,5-dimethyl-heptyl)carbamothioylamino]-3,3-dimethyl-heptanoic acid CAS Name: 7-[[[(7-hydroxy-5,5-dimethylheptyl)amino]-sulfanylidenemethyl]amino]-3,3-dimethylheptanoic acid IUPAC Name: 7-[(7-hydroxy-5,5-dimethylheptyl)carbamothioylamino]-3,3-dimethylheptanoic acid Traditional Name: 7-[(7-hydroxy-5,5-dimethyl-heptyl)thiocarbamoylamino]-3,3-dimethyl-enanthic acid Formula: C19H38N2O3S MolecularWeight: 374.58162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H38N2O3S/c1-18(2,11-14-22)9-5-7-12-20-17(25)21-13-8-6-10-19(3,4)15-16(23)24/h22H,5-15H2,1-4H3,(H,23,24)(H2,20,21,25)