6-[6-(cyanoamino)-5-methyl-6-oxidanylidene-5-phenyl-hexyl]sulfanyl-2-methyl-2-phenyl-hexanoic acid

Systemtic Name: 6-[6-(cyanoamino)-5-methyl-6-oxidanylidene-5-phenyl-hexyl]sulfanyl-2-methyl-2-phenyl-hexanoic acid Openeye Name: 6-[6-(cyanoamino)-5-methyl-6-oxo-5-phenyl-hexyl]sulfanyl-2-methyl-2-phenyl-hexanoic acid CAS Name: 6-[[6-(cyanoamino)-5-methyl-6-oxo-5-phenylhexyl]thio]-2-methyl-2-phenylhexanoic acid IUPAC Name: 6-[6-(cyanoamino)-5-methyl-6-oxo-5-phenylhexyl]sulfanyl-2-methyl-2-phenylhexanoic acid Traditional Name: 6-[[6-(cyanoamino)-6-keto-5-methyl-5-phenyl-hexyl]thio]-2-methyl-2-phenyl-hexanoic acid Formula: C27H34N2O3S MolecularWeight: 466.63546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCSCCCCC(C)(C1=CC=CC=C1)C(=O)O)(C2=CC=CC=C2)C(=O)NC#N

Isomeric SMILES

CC(CCCCSCCCCC(C)(C1=CC=CC=C1)C(=O)O)(C2=CC=CC=C2)C(=O)NC#N

InChI

InChI=1S/C27H34N2O3S/c1-26(24(30)29-21-28,22-13-5-3-6-14-22)17-9-11-19-33-20-12-10-18-27(2,25(31)32)23-15-7-4-8-16-23/h3-8,13-16H,9-12,17-20H2,1-2H3,(H,29,30)(H,31,32)