3-[[2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-[3-(tert-butylamino)-3-oxidanylidene-propyl]hydrazinyl]methylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 3-[[2-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-[3-(tert-butylamino)-3-oxidanylidene-propyl]hydrazinyl]methylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 3-[[2-[3-(tert-butylamino)-3-oxo-propyl]-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazino]methylene]-4-oxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 3-[[2-[3-(tert-butylamino)-3-oxopropyl]-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinyl]methylidene]-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 3-[[2-[3-(tert-butylamino)-3-oxopropyl]-2-(1,1-dioxo-1,2-benzothiazol-3-yl)hydrazinyl]methylidene]-4-oxocyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 3-[[N'-[3-(tert-butylamino)-3-keto-propyl]-N'-(1,1-diketo-1,2-benzothiazol-3-yl)hydrazino]methylene]-4-keto-cyclohexa-1,5-diene-1-carboxylic acid Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CCN(C1=NS(=O)(=O)C2=CC=CC=C21)NC=C3C=C(C=CC3=O)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)CCN(C1=NS(=O)(=O)C2=CC=CC=C21)NC=C3C=C(C=CC3=O)C(=O)O

InChI

InChI=1S/C22H24N4O6S/c1-22(2,3)24-19(28)10-11-26(20-16-6-4-5-7-18(16)33(31,32)25-20)23-13-15-12-14(21(29)30)8-9-17(15)27/h4-9,12-13,23H,10-11H2,1-3H3,(H,24,28)(H,29,30)