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

Systemtic Name: N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C25H15BrIN3O2S MolecularWeight: 628.27897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Br

InChI

InChI=1S/C25H15BrIN3O2S/c26-20-10-8-15(27)12-19(20)24-29-21-13-16(9-11-22(21)32-24)28-25(33)30-23(31)18-7-3-5-14-4-1-2-6-17(14)18/h1-13H,(H2,28,30,31,33)