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

Systemtic Name: N-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbamothioyl]-3-fluoranyl-benzamide Openeye Name: N-[[3-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-3-fluoro-benzamide CAS Name: N-[[3-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-3-fluorobenzamide IUPAC Name: N-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-fluorobenzamide Traditional Name: 3-fluoro-N-[(3-phthalimidophenyl)thiocarbamoyl]benzamide Formula: C22H14FN3O3S MolecularWeight: 419.428263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)F

InChI

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