methyl 2-[[(2-fluorophenyl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(2-fluorophenyl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(2-fluorophenyl)methyl-(2-morpholinoethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(2-fluorophenyl)methyl-[2-(4-morpholinyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(2-fluorophenyl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-fluorobenzyl)-(2-morpholinoethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C22H26FN3O3S MolecularWeight: 431.523543

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CCN2CCOCC2)CC3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CCN2CCOCC2)CC3=CC=CC=C3F

InChI

InChI=1S/C22H26FN3O3S/c1-28-21(27)18-7-3-5-9-20(18)24-22(30)26(11-10-25-12-14-29-15-13-25)16-17-6-2-4-8-19(17)23/h2-9H,10-16H2,1H3,(H,24,30)