N-[4-[2-(2-chloranylphenoxy)ethanoylcarbamothioylamino]-2-methoxy-phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[2-(2-chloranylphenoxy)ethanoylcarbamothioylamino]-2-methoxy-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]-2-methoxy-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[2-(2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[[2-(2-chlorophenoxy)acetyl]carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[[2-(2-chlorophenoxy)acetyl]thiocarbamoylamino]-2-methoxy-phenyl]coumarilamide Formula: C25H20ClN3O5S MolecularWeight: 509.9614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)COC2=CC=CC=C2Cl)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)COC2=CC=CC=C2Cl)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H20ClN3O5S/c1-32-21-13-16(27-25(35)29-23(30)14-33-20-9-5-3-7-17(20)26)10-11-18(21)28-24(31)22-12-15-6-2-4-8-19(15)34-22/h2-13H,14H2,1H3,(H,28,31)(H2,27,29,30,35)