2-[[2-(4-hexylphenyl)-6-propan-2-yl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(4-hexylphenyl)-6-propan-2-yl-quinolin-4-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[2-(4-hexylphenyl)-6-isopropyl-quinoline-4-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[2-(4-hexylphenyl)-6-propan-2-yl-4-quinolinyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[2-(4-hexylphenyl)-6-propan-2-ylquinoline-4-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[2-(4-hexylphenyl)-6-isopropyl-quinoline-4-carbothioyl]-methyl-amino]acetic acid Formula: C28H34N2O2S MolecularWeight: 462.64676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(C)C)C(=C2)C(=S)N(C)CC(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(C)C)C(=C2)C(=S)N(C)CC(=O)O

InChI

InChI=1S/C28H34N2O2S/c1-5-6-7-8-9-20-10-12-21(13-11-20)26-17-24(28(33)30(4)18-27(31)32)23-16-22(19(2)3)14-15-25(23)29-26/h10-17,19H,5-9,18H2,1-4H3,(H,31,32)