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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)I

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)I

InChI

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