methyl 2-[[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoranyl-phenyl]amino]ethanoate

Systemtic Name: methyl 2-[[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoranyl-phenyl]amino]ethanoate Openeye Name: methyl 2-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoro-anilino]acetate CAS Name: 2-[4-[[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]-2-fluoroanilino]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoroanilino]acetate Traditional Name: 2-[4-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]-2-fluoro-anilino]acetic acid methyl ester 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)NCC(=O)OC)F

Isomeric SMILES

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

InChI

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