3-(4-butylphenyl)sulfanyl-4-methyl-4-oxidanyl-pentanamide

Systemtic Name: 3-(4-butylphenyl)sulfanyl-4-methyl-4-oxidanyl-pentanamide Openeye Name: 3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methyl-pentanamide CAS Name: 3-[(4-butylphenyl)thio]-4-hydroxy-4-methylpentanamide IUPAC Name: 3-(4-butylphenyl)sulfanyl-4-hydroxy-4-methylpentanamide Traditional Name: 3-[(4-butylphenyl)thio]-4-hydroxy-4-methyl-valeramide Formula: C16H25NO2S MolecularWeight: 295.4402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SC(CC(=O)N)C(C)(C)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC(CC(=O)N)C(C)(C)O

InChI

InChI=1S/C16H25NO2S/c1-4-5-6-12-7-9-13(10-8-12)20-14(11-15(17)18)16(2,3)19/h7-10,14,19H,4-6,11H2,1-3H3,(H2,17,18)