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

Systemtic Name: ethyl N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoranyl-phenyl]carbamate Openeye Name: ethyl N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoro-phenyl]carbamate CAS Name: N-[4-[[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]-2-fluorophenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluorophenyl]carbamate Traditional Name: N-[4-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]-2-fluoro-phenyl]carbamic acid ethyl ester Formula: C22H28FN3O2S MolecularWeight: 417.540023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O2S/c1-5-28-21(27)26-19-11-8-16(12-18(19)23)14-25-20(29)24-13-15-6-9-17(10-7-15)22(2,3)4/h6-12H,5,13-14H2,1-4H3,(H,26,27)(H2,24,25,29)