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

Systemtic Name: ethyl 2-[[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoranyl-phenyl]amino]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoroanilino]acetate Traditional Name: 2-[4-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]-2-fluoro-anilino]acetic acid ethyl ester Formula: C23H30FN3O2S MolecularWeight: 431.566603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C)F

Isomeric SMILES

CCOC(=O)CNC1=C(C=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C)F

InChI

InChI=1S/C23H30FN3O2S/c1-5-29-21(28)15-25-20-11-8-17(12-19(20)24)14-27-22(30)26-13-16-6-9-18(10-7-16)23(2,3)4/h6-12,25H,5,13-15H2,1-4H3,(H2,26,27,30)