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

Systemtic Name: N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C21H13BrIN3O2S MolecularWeight: 578.22029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br

InChI

InChI=1S/C21H13BrIN3O2S/c22-16-8-6-13(23)10-15(16)20-25-17-11-14(7-9-18(17)28-20)24-21(29)26-19(27)12-4-2-1-3-5-12/h1-11H,(H2,24,26,27,29)