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

Systemtic Name: N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Openeye Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide CAS Name: N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Traditional Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]valeramide Formula: C19H17BrIN3O2S MolecularWeight: 558.23065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)I)Br

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)I)Br

InChI

InChI=1S/C19H17BrIN3O2S/c1-2-3-4-17(25)24-19(27)22-12-6-8-16-15(10-12)23-18(26-16)13-9-11(21)5-7-14(13)20/h5-10H,2-4H2,1H3,(H2,22,24,25,27)