N-(3-chloranyl-4-fluoranyl-phenyl)-3-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[oxo-[3-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]benzamide Formula: C29H23ClFN3O4S MolecularWeight: 564.027023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C29H23ClFN3O4S/c30-25-18-22(12-13-26(25)31)32-27(35)19-6-4-8-21(16-19)33-29(39)34-28(36)20-7-5-11-24(17-20)38-15-14-37-23-9-2-1-3-10-23/h1-13,16-18H,14-15H2,(H,32,35)(H2,33,34,36,39)