3-[[4-(methylcarbamothioylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-(methylcarbamothioylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-(methylcarbamothioylamino)-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-[[methylamino(sulfanylidene)methyl]amino]-2-[2-(5-quinolinyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-(methylcarbamothioylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[4-(methylthiocarbamoylamino)-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]butyric acid Formula: C23H24N4O6S2 MolecularWeight: 516.58986

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=C3C=CC=NC3=CC=C2

Isomeric SMILES

CNC(=S)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=C3C=CC=NC3=CC=C2

InChI

InChI=1S/C23H24N4O6S2/c1-24-23(34)26-16-7-8-21(35(31,32)27-17(14-28)13-22(29)30)20(12-16)33-11-9-15-4-2-6-19-18(15)5-3-10-25-19/h2-8,10,12,14,17,27H,9,11,13H2,1H3,(H,29,30)(H2,24,26,34)