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

Systemtic Name: 3-iodanyl-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C22H16IN3O3S MolecularWeight: 529.35021

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)I

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)I

InChI

InChI=1S/C22H16IN3O3S/c1-28-17-9-10-19-18(12-17)25-21(29-19)13-5-7-16(8-6-13)24-22(30)26-20(27)14-3-2-4-15(23)11-14/h2-12H,1H3,(H2,24,26,27,30)