ethyl 3-[[4-(phenylcarbonyl)phenyl]carbonylcarbamothioylamino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(phenylcarbonyl)phenyl]carbonylcarbamothioylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-benzoylbenzoyl)carbamothioylamino]benzofuran-2-carboxylate CAS Name: 3-[[[[(4-benzoylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzoylbenzoyl)carbamothioylamino]-1-benzofuran-2-carboxylate Traditional Name: 3-[(4-benzoylbenzoyl)thiocarbamoylamino]coumarilic acid ethyl ester Formula: C26H20N2O5S MolecularWeight: 472.5124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H20N2O5S/c1-2-32-25(31)23-21(19-10-6-7-11-20(19)33-23)27-26(34)28-24(30)18-14-12-17(13-15-18)22(29)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H2,27,28,30,34)