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

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-N-[(4-methylphenyl)methyl]benzamide Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-N-(p-tolylmethyl)benzamide CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-N-[(4-methylphenyl)methyl]benzamide IUPAC Name: 2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-N-[(4-methylphenyl)methyl]benzamide Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-N-(4-methylbenzyl)benzamide Formula: C22H19ClFN3OS MolecularWeight: 427.922163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H19ClFN3OS/c1-14-6-8-15(9-7-14)13-25-21(28)17-4-2-3-5-20(17)27-22(29)26-16-10-11-19(24)18(23)12-16/h2-12H,13H2,1H3,(H,25,28)(H2,26,27,29)