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

Systemtic Name: ethyl 3-[(4-fluorophenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[(4-fluorobenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorobenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(4-fluorobenzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid ethyl ester Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O4S/c1-2-29-20(27)15-5-8-18(25-9-11-28-12-10-25)17(13-15)23-21(30)24-19(26)14-3-6-16(22)7-4-14/h3-8,13H,2,9-12H2,1H3,(H2,23,24,26,30)