6-[(4,4-dimethyl-6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]-3,3-dimethyl-hexanoic acid

Systemtic Name: 6-[(4,4-dimethyl-6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]-3,3-dimethyl-hexanoic acid Openeye Name: 6-[(6-hydroxy-4,4-dimethyl-6-oxo-hexyl)carbamothioylamino]-3,3-dimethyl-hexanoic acid CAS Name: 6-[[[(6-hydroxy-4,4-dimethyl-6-oxohexyl)amino]-sulfanylidenemethyl]amino]-3,3-dimethylhexanoic acid IUPAC Name: 6-[(6-hydroxy-4,4-dimethyl-6-oxohexyl)carbamothioylamino]-3,3-dimethylhexanoic acid Traditional Name: 6-[(6-hydroxy-6-keto-4,4-dimethyl-hexyl)thiocarbamoylamino]-3,3-dimethyl-hexanoic acid Formula: C17H32N2O4S MolecularWeight: 360.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCNC(=S)NCCCC(C)(C)CC(=O)O)CC(=O)O

Isomeric SMILES

CC(C)(CCCNC(=S)NCCCC(C)(C)CC(=O)O)CC(=O)O

InChI

InChI=1S/C17H32N2O4S/c1-16(2,11-13(20)21)7-5-9-18-15(24)19-10-6-8-17(3,4)12-14(22)23/h5-12H2,1-4H3,(H,20,21)(H,22,23)(H2,18,19,24)