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

Systemtic Name: 2-[[5-bromanyl-6-(3-methoxypropoxy)naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[[5-bromo-6-(3-methoxypropoxy)naphthalene-1-carbothioyl]-methyl-amino]acetic acid CAS Name: 2-[[[5-bromo-6-(3-methoxypropoxy)-1-naphthalenyl]-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[[5-bromo-6-(3-methoxypropoxy)naphthalene-1-carbothioyl]-methylamino]acetic acid Traditional Name: 2-[[5-bromo-6-(3-methoxypropoxy)naphthalene-1-carbothioyl]-methyl-amino]acetic acid Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2Br)OCCCOC

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC(=C2Br)OCCCOC

InChI

InChI=1S/C18H20BrNO4S/c1-20(11-16(21)22)18(25)14-6-3-5-13-12(14)7-8-15(17(13)19)24-10-4-9-23-2/h3,5-8H,4,9-11H2,1-2H3,(H,21,22)