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

Systemtic Name: N-[4-[(3-ethanoylphenyl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(3-acetylphenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[(3-acetylanilino)-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(3-acetylphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(3-acetylphenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C22H18FN3O2S MolecularWeight: 407.460623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18FN3O2S/c1-14(27)15-5-4-6-18(13-15)26-22(29)25-17-11-9-16(10-12-17)24-21(28)19-7-2-3-8-20(19)23/h2-13H,1H3,(H,24,28)(H2,25,26,29)