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

Systemtic Name: ethyl 4-[[(2-fluorophenyl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(2-fluorophenyl)methyl-(2-morpholinoethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(2-fluorophenyl)methyl-[2-(4-morpholinyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-fluorophenyl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[(2-fluorobenzyl)-(2-morpholinoethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C23H28FN3O3S MolecularWeight: 445.550123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC=CC=C3F

InChI

InChI=1S/C23H28FN3O3S/c1-2-30-22(28)18-7-9-20(10-8-18)25-23(31)27(12-11-26-13-15-29-16-14-26)17-19-5-3-4-6-21(19)24/h3-10H,2,11-17H2,1H3,(H,25,31)