N-(1-adamantyl)-4-(4-fluorophenyl)carbonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-(1-adamantyl)-4-(4-fluorophenyl)carbonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide Openeye Name: N-(1-adamantyl)-4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide CAS Name: N-(1-adamantyl)-4-[(4-fluorophenyl)-oxomethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide IUPAC Name: N-(1-adamantyl)-4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide Traditional Name: N-(1-adamantyl)-4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide Formula: C26H27FN2O2S MolecularWeight: 450.568183

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(N1C(=O)C3=CC=C(C=C3)F)C=C(C=C2)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CSC2=C(N1C(=O)C3=CC=C(C=C3)F)C=C(C=C2)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H27FN2O2S/c27-21-4-1-19(2-5-21)25(31)29-7-8-32-23-6-3-20(12-22(23)29)24(30)28-26-13-16-9-17(14-26)11-18(10-16)15-26/h1-6,12,16-18H,7-11,13-15H2,(H,28,30)