N'-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-4-bromanyl-N-(4-methylphenyl)sulfonyl-benzohydrazide

Systemtic Name: N'-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-4-bromanyl-N-(4-methylphenyl)sulfonyl-benzohydrazide Openeye Name: 4-bromo-N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(p-tolylsulfonyl)benzohydrazide CAS Name: 4-bromo-N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methylphenyl)sulfonylbenzohydrazide IUPAC Name: 4-bromo-N'-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methylphenyl)sulfonylbenzohydrazide Traditional Name: 4-bromo-N'-(1,1-diketo-1,2-benzothiazol-3-yl)-N-tosyl-benzohydrazide Formula: C21H16BrN3O5S2 MolecularWeight: 534.40284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(=O)C2=CC=C(C=C2)Br)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(=O)C2=CC=C(C=C2)Br)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H16BrN3O5S2/c1-14-6-12-17(13-7-14)32(29,30)25(21(26)15-8-10-16(22)11-9-15)23-20-18-4-2-3-5-19(18)31(27,28)24-20/h2-13H,1H3,(H,23,24)