N-[4-[(3-acetamidophenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(3-acetamidophenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-acetamidophenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(3-acetamidoanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-acetamidophenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3-acetamidophenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H19FN4O2S MolecularWeight: 422.475263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H19FN4O2S/c1-14(28)24-17-5-4-6-18(13-17)27-22(30)26-16-11-9-15(10-12-16)25-21(29)19-7-2-3-8-20(19)23/h2-13H,1H3,(H,24,28)(H,25,29)(H2,26,27,30)