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N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name:N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide
Openeye Name:N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide
CAS Name:N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide
IUPAC Name:N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-3-nitrobenzamide
Traditional Name:N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide
Formula: C23H16BrIN4O5S
MolecularWeight: 667.27041
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)[N+](=O)[O-]


Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)[N+](=O)[O-]


InChI

InChI=1S/C23H16BrIN4O5S/c1-2-33-20-7-3-12(9-18(20)29(31)32)21(30)28-23(35)26-14-5-8-19-17(11-14)27-22(34-19)15-10-13(25)4-6-16(15)24/h3-11H,2H2,1H3,(H2,26,28,30,35)


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