methyl-[3-(phenylcarbonylsulfanyl)hexyl]carbamic acid

Systemtic Name: methyl-[3-(phenylcarbonylsulfanyl)hexyl]carbamic acid Openeye Name: 3-benzoylsulfanylhexyl(methyl)carbamic acid CAS Name: 3-(benzoylthio)hexyl-methylcarbamic acid IUPAC Name: 3-benzoylsulfanylhexyl(methyl)carbamic acid Traditional Name: 3-(benzoylthio)hexyl-methyl-carbamic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCN(C)C(=O)O)SC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCC(CCN(C)C(=O)O)SC(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S/c1-3-7-13(10-11-16(2)15(18)19)20-14(17)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3,(H,18,19)