methyl 3-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-(benzofuran-2-carbonylcarbamothioylamino)-4-morpholino-benzoate CAS Name: 3-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(1-benzofuran-2-carbonylcarbamothioylamino)-4-morpholin-4-ylbenzoate Traditional Name: 3-(benzofuran-2-carbonylthiocarbamoylamino)-4-morpholino-benzoic acid methyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H21N3O5S/c1-28-21(27)15-6-7-17(25-8-10-29-11-9-25)16(12-15)23-22(31)24-20(26)19-13-14-4-2-3-5-18(14)30-19/h2-7,12-13H,8-11H2,1H3,(H2,23,24,26,31)