5-bromanyl-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]nicotinamide Formula: C20H12BrFN4O2S MolecularWeight: 471.302283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CN=C4)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CN=C4)Br)F

InChI

InChI=1S/C20H12BrFN4O2S/c21-12-7-11(9-23-10-12)18(27)26-20(29)24-13-5-6-17-16(8-13)25-19(28-17)14-3-1-2-4-15(14)22/h1-10H,(H2,24,26,27,29)