2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(1-oxidanylidene-2H-isoquinolin-3-yl)hexanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(1-oxidanylidene-2H-isoquinolin-3-yl)hexanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(1-oxo-2H-isoquinolin-3-yl)hexanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(1-oxo-2H-isoquinolin-3-yl)hexanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(1-oxo-2H-isoquinolin-3-yl)hexanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(1-keto-2H-isoquinolin-3-yl)hexanamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC2=CC=CC=C2C(=O)N1)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CCCCC(C(=O)NC1=CC2=CC=CC=C2C(=O)N1)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H22N4O4S/c1-2-3-11-17(23-20-16-10-6-7-12-18(16)31(29,30)26-20)22(28)25-19-13-14-8-4-5-9-15(14)21(27)24-19/h4-10,12-13,17H,2-3,11H2,1H3,(H,23,26)(H2,24,25,27,28)