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

Systemtic Name: 3-chloranyl-N-[[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-chloro-N-[[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-chloro-N-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C23H16Cl2IN3O3S MolecularWeight: 612.26691

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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)Cl)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)Cl)Cl

InChI

InChI=1S/C23H16Cl2IN3O3S/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)