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

Systemtic Name: 5-bromanyl-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C25H15BrFN3O2S MolecularWeight: 520.372903

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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=CC5=C4C=CC=C5Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)F

InChI

InChI=1S/C25H15BrFN3O2S/c26-19-9-4-6-15-16(19)7-3-8-17(15)23(31)30-25(33)28-14-11-12-22-21(13-14)29-24(32-22)18-5-1-2-10-20(18)27/h1-13H,(H2,28,30,31,33)