N-[4-[[(1S)-1-(4-bromophenyl)ethyl]carbamothioylamino]-2-cyano-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[[(1S)-1-(4-bromophenyl)ethyl]carbamothioylamino]-2-cyano-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[[(1S)-1-(4-bromophenyl)ethyl]carbamothioylamino]-2-cyano-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[[(1S)-1-(4-bromophenyl)ethyl]amino]-sulfanylidenemethyl]amino]-2-cyanophenyl]-2-fluorobenzamide IUPAC Name: N-[4-[[(1S)-1-(4-bromophenyl)ethyl]carbamothioylamino]-2-cyanophenyl]-2-fluorobenzamide Traditional Name: N-[4-[[(1S)-1-(4-bromophenyl)ethyl]thiocarbamoylamino]-2-cyano-phenyl]-2-fluoro-benzamide Formula: C23H18BrFN4OS MolecularWeight: 497.382623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)C#N

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)C#N

InChI

InChI=1S/C23H18BrFN4OS/c1-14(15-6-8-17(24)9-7-15)27-23(31)28-18-10-11-21(16(12-18)13-26)29-22(30)19-4-2-3-5-20(19)25/h2-12,14H,1H3,(H,29,30)(H2,27,28,31)/t14-/m0/s1