N-[4-[(1-tert-butylimidazol-2-yl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[(1-tert-butylimidazol-2-yl)carbamothioylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[(1-tert-butylimidazol-2-yl)carbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[(1-tert-butyl-2-imidazolyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[(1-tert-butylimidazol-2-yl)carbamothioylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[(1-tert-butylimidazol-2-yl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C21H22FN5OS MolecularWeight: 411.495683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CN=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)N1C=CN=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FN5OS/c1-21(2,3)27-13-12-23-19(27)26-20(29)25-15-10-8-14(9-11-15)24-18(28)16-6-4-5-7-17(16)22/h4-13H,1-3H3,(H,24,28)(H2,23,25,26,29)