N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]-2-fluorobenzamide Traditional Name: N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]-2-fluoro-benzamide Formula: C22H14FN3O3S MolecularWeight: 419.428263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H14FN3O3S/c23-16-11-5-4-9-14(16)19(27)25-22(30)24-17-12-6-10-15-18(17)21(29)26(20(15)28)13-7-2-1-3-8-13/h1-12H,(H2,24,25,27,30)