2-[(5-bromanylnaphthalen-1-yl)carbothioyl-butyl-amino]ethanoic acid

Systemtic Name: 2-[(5-bromanylnaphthalen-1-yl)carbothioyl-butyl-amino]ethanoic acid Openeye Name: 2-[(5-bromonaphthalene-1-carbothioyl)-butyl-amino]acetic acid CAS Name: 2-[[(5-bromo-1-naphthalenyl)-sulfanylidenemethyl]-butylamino]acetic acid IUPAC Name: 2-[(5-bromonaphthalene-1-carbothioyl)-butylamino]acetic acid Traditional Name: 2-[(5-bromonaphthalene-1-carbothioyl)-butyl-amino]acetic acid Formula: C17H18BrNO2S MolecularWeight: 380.29932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC=C2Br

Isomeric SMILES

CCCCN(CC(=O)O)C(=S)C1=CC=CC2=C1C=CC=C2Br

InChI

InChI=1S/C17H18BrNO2S/c1-2-3-10-19(11-16(20)21)17(22)14-8-4-7-13-12(14)6-5-9-15(13)18/h4-9H,2-3,10-11H2,1H3,(H,20,21)