2-[[5-bromanyl-6-methoxy-3-(phenylmethyl)naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[5-bromanyl-6-methoxy-3-(phenylmethyl)naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[(3-benzyl-5-bromo-6-methoxy-naphthalene-1-carbothioyl)-methyl-amino]acetic acid CAS Name: 2-[[[5-bromo-6-methoxy-3-(phenylmethyl)-1-naphthalenyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[(3-benzyl-5-bromo-6-methoxynaphthalene-1-carbothioyl)-methylamino]acetic acid Traditional Name: 2-[(3-benzyl-5-bromo-6-methoxy-naphthalene-1-carbothioyl)-methyl-amino]acetic acid Formula: C22H20BrNO3S MolecularWeight: 458.3681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=C2C=CC(=C(C2=CC(=C1)CC3=CC=CC=C3)Br)OC

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=C2C=CC(=C(C2=CC(=C1)CC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C22H20BrNO3S/c1-24(13-20(25)26)22(28)18-12-15(10-14-6-4-3-5-7-14)11-17-16(18)8-9-19(27-2)21(17)23/h3-9,11-12H,10,13H2,1-2H3,(H,25,26)