2-[[5-bromanyl-6-[(4-chlorophenyl)methoxy]naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[5-bromanyl-6-[(4-chlorophenyl)methoxy]naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[5-bromo-6-[(4-chlorophenyl)methoxy]naphthalene-1-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[5-bromo-6-[(4-chlorophenyl)methoxy]-1-naphthalenyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[5-bromo-6-[(4-chlorophenyl)methoxy]naphthalene-1-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[5-bromo-6-(4-chlorobenzyl)oxy-naphthalene-1-carbothioyl]-methyl-amino]acetic acid Formula: C21H17BrClNO3S MolecularWeight: 478.78658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2Br)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2Br)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17BrClNO3S/c1-24(11-19(25)26)21(28)17-4-2-3-16-15(17)9-10-18(20(16)22)27-12-13-5-7-14(23)8-6-13/h2-10H,11-12H2,1H3,(H,25,26)