2-[(4-fluorophenyl)methylcarbamothioyl-methyl-amino]-N-(4-morpholin-4-ylphenyl)ethanamide

Systemtic Name: 2-[(4-fluorophenyl)methylcarbamothioyl-methyl-amino]-N-(4-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-[(4-fluorophenyl)methylcarbamothioyl-methyl-amino]-N-(4-morpholinophenyl)acetamide CAS Name: 2-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-methylamino]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[(4-fluorophenyl)methylcarbamothioyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(4-fluorobenzyl)thiocarbamoyl-methyl-amino]-N-(4-morpholinophenyl)acetamide Formula: C21H25FN4O2S MolecularWeight: 416.512203

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)N2CCOCC2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O2S/c1-25(21(29)23-14-16-2-4-17(22)5-3-16)15-20(27)24-18-6-8-19(9-7-18)26-10-12-28-13-11-26/h2-9H,10-15H2,1H3,(H,23,29)(H,24,27)