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

Systemtic Name: 2-[(5-bromanyl-6-pentoxy-naphthalen-1-yl)carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[(5-bromo-6-pentoxy-naphthalene-1-carbothioyl)-methyl-amino]acetic acid CAS Name: 2-[[(5-bromo-6-pentoxy-1-naphthalenyl)-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[(5-bromo-6-pentoxynaphthalene-1-carbothioyl)-methylamino]acetic acid Traditional Name: 2-[(6-amoxy-5-bromo-naphthalene-1-carbothioyl)-methyl-amino]acetic acid Formula: C19H22BrNO3S MolecularWeight: 424.35188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C2=C(C=C1)C(=CC=C2)C(=S)N(C)CC(=O)O)Br

Isomeric SMILES

CCCCCOC1=C(C2=C(C=C1)C(=CC=C2)C(=S)N(C)CC(=O)O)Br

InChI

InChI=1S/C19H22BrNO3S/c1-3-4-5-11-24-16-10-9-13-14(18(16)20)7-6-8-15(13)19(25)21(2)12-17(22)23/h6-10H,3-5,11-12H2,1-2H3,(H,22,23)