4-[(5-bromanylnaphthalen-1-yl)carbothioyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(5-bromanylnaphthalen-1-yl)carbothioyl-methyl-amino]butanoic acid Openeye Name: 4-[(5-bromonaphthalene-1-carbothioyl)-methyl-amino]butanoic acid CAS Name: 4-[[(5-bromo-1-naphthalenyl)-sulfanylidenemethyl]-methylamino]butanoic acid IUPAC Name: 4-[(5-bromonaphthalene-1-carbothioyl)-methylamino]butanoic acid Traditional Name: 4-[(5-bromonaphthalene-1-carbothioyl)-methyl-amino]butyric acid Formula: C16H16BrNO2S MolecularWeight: 366.27274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO2S/c1-18(10-4-9-15(19)20)16(21)13-7-2-6-12-11(13)5-3-8-14(12)17/h2-3,5-8H,4,9-10H2,1H3,(H,19,20)