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

Systemtic Name: 4-azanyl-2-[[4-(methylcarbamothioylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[4-(methylcarbamothioylamino)-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[4-[[methylamino(sulfanylidene)methyl]amino]-2-[2-(5-quinolinyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[4-(methylcarbamothioylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[[4-(methylthiocarbamoylamino)-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]butyric acid Formula: C23H25N5O6S2 MolecularWeight: 531.6045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O6S2/c1-25-23(35)27-15-7-8-20(36(32,33)28-18(22(30)31)13-21(24)29)19(12-15)34-11-9-14-4-2-6-17-16(14)5-3-10-26-17/h2-8,10,12,18,28H,9,11,13H2,1H3,(H2,24,29)(H,30,31)(H2,25,27,35)