N-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-(2-methylphenyl)ethanoylcarbamothioylamino]benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-(2-methylphenyl)ethanoylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[[2-(o-tolyl)acetyl]carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[[2-(o-tolyl)acetyl]thiocarbamoylamino]benzamide Formula: C23H19ClFN3O2S MolecularWeight: 455.932263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C23H19ClFN3O2S/c1-14-5-2-3-6-15(14)12-21(29)28-23(31)27-17-8-4-7-16(11-17)22(30)26-18-9-10-20(25)19(24)13-18/h2-11,13H,12H2,1H3,(H,26,30)(H2,27,28,29,31)