N-(4-bromanyl-3-methyl-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)Br

InChI

InChI=1S/C16H13BrN2O4S/c1-10-8-11(6-7-13(10)17)18-15(20)9-19-16(21)12-4-2-3-5-14(12)24(19,22)23/h2-8H,9H2,1H3,(H,18,20)