N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[2-(4-fluorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(4-fluorophenyl)benzotriazol-5-yl]thiocarbamoyl]coumarilamide Formula: C22H14FN5O2S MolecularWeight: 431.442263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H14FN5O2S/c23-14-5-8-16(9-6-14)28-26-17-10-7-15(12-18(17)27-28)24-22(31)25-21(29)20-11-13-3-1-2-4-19(13)30-20/h1-12H,(H2,24,25,29,31)