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

Systemtic Name: 5-nitro-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-5-nitro-benzofuran-2-carboxamide CAS Name: 5-nitro-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 5-nitro-N-[(3-phenylmethoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-5-nitro-coumarilamide Formula: C23H17N3O5S MolecularWeight: 447.46318

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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)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O5S/c27-22(21-12-16-11-18(26(28)29)9-10-20(16)31-21)25-23(32)24-17-7-4-8-19(13-17)30-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,24,25,27,32)