N-(4-tert-butylphenyl)-1,1-bis(oxidanylidene)-6-pyridin-2-yl-1,2-benzothiazol-3-amine

Systemtic Name: N-(4-tert-butylphenyl)-1,1-bis(oxidanylidene)-6-pyridin-2-yl-1,2-benzothiazol-3-amine Openeye Name: N-(4-tert-butylphenyl)-1,1-dioxo-6-(2-pyridyl)-1,2-benzothiazol-3-amine CAS Name: N-(4-tert-butylphenyl)-1,1-dioxo-6-(2-pyridinyl)-1,2-benzothiazol-3-amine IUPAC Name: N-(4-tert-butylphenyl)-1,1-dioxo-6-pyridin-2-yl-1,2-benzothiazol-3-amine Traditional Name: (4-tert-butylphenyl)-[1,1-diketo-6-(2-pyridyl)-1,2-benzothiazol-3-yl]amine Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=C2C=CC(=C3)C4=CC=CC=N4

InChI

InChI=1S/C22H21N3O2S/c1-22(2,3)16-8-10-17(11-9-16)24-21-18-12-7-15(19-6-4-5-13-23-19)14-20(18)28(26,27)25-21/h4-14H,1-3H3,(H,24,25)