methyl 3-[(4-fluorophenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(4-fluorophenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(4-fluorobenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-fluorobenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(4-fluorobenzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O4S/c1-27-19(26)14-4-7-17(24-8-10-28-11-9-24)16(12-14)22-20(29)23-18(25)13-2-5-15(21)6-3-13/h2-7,12H,8-11H2,1H3,(H2,22,23,25,29)