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

Systemtic Name: N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoranyl-phenyl]ethanamide Openeye Name: N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoro-phenyl]acetamide CAS Name: N-[4-[[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]-2-fluorophenyl]acetamide IUPAC Name: N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluorophenyl]acetamide Traditional Name: N-[4-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]-2-fluoro-phenyl]acetamide Formula: C21H26FN3OS MolecularWeight: 387.514043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C)F

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C)F

InChI

InChI=1S/C21H26FN3OS/c1-14(26)25-19-10-7-16(11-18(19)22)13-24-20(27)23-12-15-5-8-17(9-6-15)21(2,3)4/h5-11H,12-13H2,1-4H3,(H,25,26)(H2,23,24,27)