N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]-2-methyl-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]-2-methyl-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]-2-methyl-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[1-(4-bromophenyl)ethylamino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]-2-methylphenyl]-2-fluorobenzamide Traditional Name: N-[4-[1-(4-bromophenyl)ethylthiocarbamoylamino]-2-methyl-phenyl]-2-fluoro-benzamide Formula: C23H21BrFN3OS MolecularWeight: 486.399743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H21BrFN3OS/c1-14-13-18(27-23(30)26-15(2)16-7-9-17(24)10-8-16)11-12-21(14)28-22(29)19-5-3-4-6-20(19)25/h3-13,15H,1-2H3,(H,28,29)(H2,26,27,30)