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

Systemtic Name: 5-bromanyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[2-(4-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=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=C(C=C5)F

InChI

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