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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-[2-[(2-nitrophenyl)amino]ethyl]hexanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(2-nitroanilino)ethyl]hexanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(2-nitroanilino)ethyl]hexanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[2-(2-nitroanilino)ethyl]hexanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-[2-(2-nitroanilino)ethyl]hexanamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC(C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H25N5O5S/c1-2-3-9-17(24-20-15-8-4-7-12-19(15)32(30,31)25-20)21(27)23-14-13-22-16-10-5-6-11-18(16)26(28)29/h4-8,10-12,17,22H,2-3,9,13-14H2,1H3,(H,23,27)(H,24,25)