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

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-iodo-benzamide Formula: C21H14IN3O2S MolecularWeight: 499.32423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)I

InChI

InChI=1S/C21H14IN3O2S/c22-16-6-2-1-5-15(16)19(26)25-21(28)23-14-11-9-13(10-12-14)20-24-17-7-3-4-8-18(17)27-20/h1-12H,(H2,23,25,26,28)