2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(6-bromanyl-2-phenyl-quinolin-4-yl)carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[(6-bromo-2-phenyl-quinoline-4-carbothioyl)-methyl-amino]acetic acid CAS Name: 2-[[(6-bromo-2-phenyl-4-quinolinyl)-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[(6-bromo-2-phenylquinoline-4-carbothioyl)-methylamino]acetic acid Traditional Name: 2-[(6-bromo-2-phenyl-quinoline-4-carbothioyl)-methyl-amino]acetic acid Formula: C19H15BrN2O2S MolecularWeight: 415.3036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C19H15BrN2O2S/c1-22(11-18(23)24)19(25)15-10-17(12-5-3-2-4-6-12)21-16-8-7-13(20)9-14(15)16/h2-10H,11H2,1H3,(H,23,24)