N'-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-4-tert-butyl-N'-(2-cyanoethyl)benzohydrazide

Systemtic Name: N'-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-4-tert-butyl-N'-(2-cyanoethyl)benzohydrazide Openeye Name: 4-tert-butyl-N'-(2-cyanoethyl)-N'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide CAS Name: 4-tert-butyl-N'-(2-cyanoethyl)-N'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide IUPAC Name: 4-tert-butyl-N'-(2-cyanoethyl)-N'-(1,1-dioxo-1,2-benzothiazol-3-yl)benzohydrazide Traditional Name: 4-tert-butyl-N'-(2-cyanoethyl)-N'-(1,1-diketo-1,2-benzothiazol-3-yl)benzohydrazide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NN(CCC#N)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NN(CCC#N)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H22N4O3S/c1-21(2,3)16-11-9-15(10-12-16)20(26)23-25(14-6-13-22)19-17-7-4-5-8-18(17)29(27,28)24-19/h4-5,7-12H,6,14H2,1-3H3,(H,23,26)