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

Systemtic Name: 4-bromanyl-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C21H13BrFN3O2S MolecularWeight: 470.314223

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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=C(C=C4)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrFN3O2S/c22-13-7-5-12(6-8-13)19(27)26-21(29)24-14-9-10-18-17(11-14)25-20(28-18)15-3-1-2-4-16(15)23/h1-11H,(H2,24,26,27,29)