N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]-4-fluoro-benzamide CAS Name: N-[4-[[[1-(4-bromophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-4-fluorobenzamide IUPAC Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]phenyl]-4-fluorobenzamide Traditional Name: N-[4-[1-(4-bromophenyl)ethylthiocarbamoylamino]phenyl]-4-fluoro-benzamide Formula: C22H19BrFN3OS MolecularWeight: 472.373163

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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=C(C=C3)F

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H19BrFN3OS/c1-14(15-2-6-17(23)7-3-15)25-22(29)27-20-12-10-19(11-13-20)26-21(28)16-4-8-18(24)9-5-16/h2-14H,1H3,(H,26,28)(H2,25,27,29)