N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide

Systemtic Name: N-[[2-(3-iodanylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: N-[[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]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=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)I

Isomeric SMILES

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

InChI

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