butyl 4-(1-benzofuran-2-ylcarbonylsulfanylcarbamoylamino)benzoate

Systemtic Name: butyl 4-(1-benzofuran-2-ylcarbonylsulfanylcarbamoylamino)benzoate Openeye Name: butyl 4-(benzofuran-2-carbonylsulfanylcarbamoylamino)benzoate CAS Name: 4-[[[[[2-benzofuranyl(oxo)methyl]thio]amino]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(1-benzofuran-2-carbonylsulfanylcarbamoylamino)benzoate Traditional Name: 4-[(benzofuran-2-carbonylthio)carbamoylamino]benzoic acid butyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NSC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)NSC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H20N2O5S/c1-2-3-12-27-19(24)14-8-10-16(11-9-14)22-21(26)23-29-20(25)18-13-15-6-4-5-7-17(15)28-18/h4-11,13H,2-3,12H2,1H3,(H2,22,23,26)