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

Systemtic Name: methyl N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluoranyl-phenyl]carbamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]-2-fluorophenyl]carbamate Traditional Name: N-[4-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]-2-fluoro-phenyl]carbamic acid methyl ester Formula: C21H26FN3O2S MolecularWeight: 403.513443

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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)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O2S/c1-21(2,3)16-8-5-14(6-9-16)12-23-19(28)24-13-15-7-10-18(17(22)11-15)25-20(26)27-4/h5-11H,12-13H2,1-4H3,(H,25,26)(H2,23,24,28)