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

Systemtic Name: 3-iodanyl-N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-[[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-N-[[3-(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(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)I

Isomeric SMILES

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

InChI

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