6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-[(4-fluoranyl-3-methyl-phenyl)methyl]hexanamide

Systemtic Name: 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-[(4-fluoranyl-3-methyl-phenyl)methyl]hexanamide Openeye Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(4-fluoro-3-methyl-phenyl)methyl]hexanamide CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]hexanamide IUPAC Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]hexanamide Traditional Name: 6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(4-fluoro-3-methyl-benzyl)hexanamide Formula: C21H24FN3O3S MolecularWeight: 417.496963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)CCCCCNC2=NS(=O)(=O)C3=CC=CC=C32)F

InChI

InChI=1S/C21H24FN3O3S/c1-15-13-16(10-11-18(15)22)14-24-20(26)9-3-2-6-12-23-21-17-7-4-5-8-19(17)29(27,28)25-21/h4-5,7-8,10-11,13H,2-3,6,9,12,14H2,1H3,(H,23,25)(H,24,26)