ethyl 2-(furan-2-ylcarbonylcarbamothioylamino)-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: ethyl 2-(furan-2-ylcarbonylcarbamothioylamino)-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-(furan-2-carbonylcarbamothioylamino)-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-(furan-2-carbonylcarbamothioylamino)-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-(2-furoylthiocarbamoylamino)-6-(tosylamino)hexanoic acid ethyl ester Formula: C21H27N3O6S2 MolecularWeight: 481.58558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NC(=S)NC(=O)C2=CC=CO2

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NC(=S)NC(=O)C2=CC=CO2

InChI

InChI=1S/C21H27N3O6S2/c1-3-29-20(26)17(23-21(31)24-19(25)18-8-6-14-30-18)7-4-5-13-22-32(27,28)16-11-9-15(2)10-12-16/h6,8-12,14,17,22H,3-5,7,13H2,1-2H3,(H2,23,24,25,31)