4-(phenylcarbonylsulfanyl)heptylcarbamic acid

Systemtic Name: 4-(phenylcarbonylsulfanyl)heptylcarbamic acid Openeye Name: 4-benzoylsulfanylheptylcarbamic acid CAS Name: 4-(benzoylthio)heptylcarbamic acid IUPAC Name: 4-benzoylsulfanylheptylcarbamic acid Traditional Name: 4-(benzoylthio)heptylcarbamic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCNC(=O)O)SC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCC(CCCNC(=O)O)SC(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H21NO3S/c1-2-7-13(10-6-11-16-15(18)19)20-14(17)12-8-4-3-5-9-12/h3-5,8-9,13,16H,2,6-7,10-11H2,1H3,(H,18,19)