N-(3-chloranyl-4-fluoranyl-phenyl)-3-(octanoylcarbamothioylamino)benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(octanoylcarbamothioylamino)benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-(octanoylcarbamothioylamino)benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-(octanoylcarbamothioylamino)benzamide Traditional Name: 3-(caprylylthiocarbamoylamino)-N-(3-chloro-4-fluoro-phenyl)benzamide Formula: C22H25ClFN3O2S MolecularWeight: 449.969203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C22H25ClFN3O2S/c1-2-3-4-5-6-10-20(28)27-22(30)26-16-9-7-8-15(13-16)21(29)25-17-11-12-19(24)18(23)14-17/h7-9,11-14H,2-6,10H2,1H3,(H,25,29)(H2,26,27,28,30)