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

Systemtic Name: N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C23H17BrIN3O4S MolecularWeight: 638.27225

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)OC

InChI

InChI=1S/C23H17BrIN3O4S/c1-30-15-7-12(8-16(11-15)31-2)21(29)28-23(33)26-14-4-6-20-19(10-14)27-22(32-20)17-9-13(25)3-5-18(17)24/h3-11H,1-2H3,(H2,26,28,29,33)