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

Systemtic Name: N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C19H11BrIN3O2S2 MolecularWeight: 584.24801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H11BrIN3O2S2/c20-13-5-3-10(21)8-12(13)18-23-14-9-11(4-6-15(14)26-18)22-19(27)24-17(25)16-2-1-7-28-16/h1-9H,(H2,22,24,25,27)