3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-N-[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide

Systemtic Name: 3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-N-[4-fluoranyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide Openeye Name: 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide CAS Name: 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide IUPAC Name: 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide Traditional Name: 3-(1,1-diketo-1,2-thiazolidin-2-yl)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]benzamide Formula: C23H24FN5O3S MolecularWeight: 469.531763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)N5CCCS5(=O)=O)F

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)N5CCCS5(=O)=O)F

InChI

InChI=1S/C23H24FN5O3S/c24-20-10-9-17(15-19(20)22-27-26-21-8-2-1-3-11-28(21)22)25-23(30)16-6-4-7-18(14-16)29-12-5-13-33(29,31)32/h4,6-7,9-10,14-15H,1-3,5,8,11-13H2,(H,25,30)