2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-methyl-3-nitro-phenyl)hexanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-methyl-3-nitro-phenyl)hexanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-methyl-3-nitro-phenyl)hexanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-methyl-3-nitrophenyl)hexanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-methyl-3-nitrophenyl)hexanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(4-methyl-3-nitro-phenyl)hexanamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC(=C(C=C1)C)[N+](=O)[O-])NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC(C(=O)NC1=CC(=C(C=C1)C)[N+](=O)[O-])NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H22N4O5S/c1-3-4-8-16(20(25)21-14-11-10-13(2)17(12-14)24(26)27)22-19-15-7-5-6-9-18(15)30(28,29)23-19/h5-7,9-12,16H,3-4,8H2,1-2H3,(H,21,25)(H,22,23)