4-bromanyl-N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C20H12Br2N4O2S MolecularWeight: 532.20788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)Br

InChI

InChI=1S/C20H12Br2N4O2S/c21-13-3-1-11(2-4-13)18(27)26-20(29)24-15-5-6-17-16(8-15)25-19(28-17)12-7-14(22)10-23-9-12/h1-10H,(H2,24,26,27,29)