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

Systemtic Name: N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloranyl-4-ethoxy-benzamide Openeye Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloro-4-ethoxy-benzamide CAS Name: N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-chloro-4-ethoxybenzamide IUPAC Name: N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-chloro-4-ethoxybenzamide Traditional Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-chloro-4-ethoxy-benzamide Formula: C23H16BrClIN3O3S MolecularWeight: 656.71791

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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)Cl

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)Cl

InChI

InChI=1S/C23H16BrClIN3O3S/c1-2-31-19-7-3-12(9-17(19)25)21(30)29-23(33)27-14-5-8-20-18(11-14)28-22(32-20)15-10-13(26)4-6-16(15)24/h3-11H,2H2,1H3,(H2,27,29,30,33)