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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-methylphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-methylbenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[(4-methylbenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-(p-toluoylthiocarbamoylamino)benzamide Formula: C22H17ClFN3O2S MolecularWeight: 441.905683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H17ClFN3O2S/c1-13-5-7-14(8-6-13)20(28)27-22(30)26-16-4-2-3-15(11-16)21(29)25-17-9-10-19(24)18(23)12-17/h2-12H,1H3,(H,25,29)(H2,26,27,28,30)