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

Systemtic Name: N-[4-[(4-tert-butylphenyl)methylcarbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(4-tert-butylphenyl)methylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(4-tert-butylphenyl)methylcarbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(4-tert-butylbenzyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C25H26FN3OS MolecularWeight: 435.556843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C25H26FN3OS/c1-25(2,3)18-10-8-17(9-11-18)16-27-24(31)29-20-14-12-19(13-15-20)28-23(30)21-6-4-5-7-22(21)26/h4-15H,16H2,1-3H3,(H,28,30)(H2,27,29,31)