2-(1,3-benzothiazol-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone bromide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone bromide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone bromide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone bromide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone bromide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-1-mesityl-ethanone bromide Formula: C18H18BrN2OS- MolecularWeight: 390.31732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)CNC2=NC3=CC=CC=C3S2)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)CNC2=NC3=CC=CC=C3S2)C.[Br-]

InChI

InChI=1S/C18H18N2OS.BrH/c1-11-8-12(2)17(13(3)9-11)15(21)10-19-18-20-14-6-4-5-7-16(14)22-18;/h4-9H,10H2,1-3H3,(H,19,20);1H/p-1