5-iodanyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-iodanyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-5-iodo-benzofuran-2-carboxamide CAS Name: 5-iodo-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 5-iodo-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-5-iodo-coumarilamide Formula: C23H17IN2O3S MolecularWeight: 528.36215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC4=C(O3)C=CC(=C4)I

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC4=C(O3)C=CC(=C4)I

InChI

InChI=1S/C23H17IN2O3S/c24-17-9-10-20-16(11-17)12-21(29-20)22(27)26-23(30)25-18-7-4-8-19(13-18)28-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,25,26,27,30)