N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoranyl-phenyl]-2-methoxy-ethanamide

Systemtic Name: N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoranyl-phenyl]-2-methoxy-ethanamide Openeye Name: N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoro-phenyl]-2-methoxy-acetamide CAS Name: N-[4-[[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]-2-fluorophenyl]-2-methoxyacetamide IUPAC Name: N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluorophenyl]-2-methoxyacetamide Traditional Name: N-[4-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]-2-fluoro-phenyl]-2-methoxy-acetamide Formula: C22H28FN3O2S MolecularWeight: 417.540023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NC(=O)COC)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NCC2=CC(=C(C=C2)NC(=O)COC)F

InChI

InChI=1S/C22H28FN3O2S/c1-22(2,3)17-8-5-15(6-9-17)12-24-21(29)25-13-16-7-10-19(18(23)11-16)26-20(27)14-28-4/h5-11H,12-14H2,1-4H3,(H,26,27)(H2,24,25,29)