2-methylpropyl 4-(1-benzofuran-2-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: 2-methylpropyl 4-(1-benzofuran-2-ylcarbonylcarbamothioylamino)benzoate Openeye Name: isobutyl 4-(benzofuran-2-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(1-benzofuran-2-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(benzofuran-2-carbonylthiocarbamoylamino)benzoic acid isobutyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H20N2O4S/c1-13(2)12-26-20(25)14-7-9-16(10-8-14)22-21(28)23-19(24)18-11-15-5-3-4-6-17(15)27-18/h3-11,13H,12H2,1-2H3,(H2,22,23,24,28)