methyl 2-[[(3-fluorophenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(3-fluorophenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(3-fluorophenyl)methyl-(3-morpholinopropyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(3-fluorophenyl)methyl-[3-(4-morpholinyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3-fluorophenyl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(3-fluorobenzyl)-(3-morpholinopropyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H28FN3O3S MolecularWeight: 445.550123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CC(=CC=C3)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C23H28FN3O3S/c1-29-22(28)20-8-2-3-9-21(20)25-23(31)27(17-18-6-4-7-19(24)16-18)11-5-10-26-12-14-30-15-13-26/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,25,31)