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

Systemtic Name: 2-[[3,5-bis(bromanyl)-6-methoxy-naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[(3,5-dibromo-6-methoxy-naphthalene-1-carbothioyl)-methyl-amino]acetic acid CAS Name: 2-[[(3,5-dibromo-6-methoxy-1-naphthalenyl)-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[(3,5-dibromo-6-methoxynaphthalene-1-carbothioyl)-methylamino]acetic acid Traditional Name: 2-[(3,5-dibromo-6-methoxy-naphthalene-1-carbothioyl)-methyl-amino]acetic acid Formula: C15H13Br2NO3S MolecularWeight: 447.14162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13Br2NO3S/c1-18(7-13(19)20)15(22)11-6-8(16)5-10-9(11)3-4-12(21-2)14(10)17/h3-6H,7H2,1-2H3,(H,19,20)