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

Systemtic Name: 2-[(5-bromanyl-6-methoxy-3-phenyl-naphthalen-1-yl)carbothioyl-methyl-amino]ethanoic acid Openeye Name: 2-[(5-bromo-6-methoxy-3-phenyl-naphthalene-1-carbothioyl)-methyl-amino]acetic acid CAS Name: 2-[[(5-bromo-6-methoxy-3-phenyl-1-naphthalenyl)-sulfanylidenemethyl]-methylamino]acetic acid IUPAC Name: 2-[(5-bromo-6-methoxy-3-phenylnaphthalene-1-carbothioyl)-methylamino]acetic acid Traditional Name: 2-[(5-bromo-6-methoxy-3-phenyl-naphthalene-1-carbothioyl)-methyl-amino]acetic acid Formula: C21H18BrNO3S MolecularWeight: 444.34152

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=S)C1=C2C=CC(=C(C2=CC(=C1)C3=CC=CC=C3)Br)OC

Isomeric SMILES

CN(CC(=O)O)C(=S)C1=C2C=CC(=C(C2=CC(=C1)C3=CC=CC=C3)Br)OC

InChI

InChI=1S/C21H18BrNO3S/c1-23(12-19(24)25)21(27)17-11-14(13-6-4-3-5-7-13)10-16-15(17)8-9-18(26-2)20(16)22/h3-11H,12H2,1-2H3,(H,24,25)