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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(3-phenethyloxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[(3-phenethyloxybenzoyl)carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[(3-phenethyloxybenzoyl)thiocarbamoylamino]benzamide Formula: C29H23ClFN3O3S MolecularWeight: 548.027623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=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)CCOC2=CC=CC(=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C29H23ClFN3O3S/c30-25-18-23(12-13-26(25)31)32-27(35)20-8-4-10-22(16-20)33-29(38)34-28(36)21-9-5-11-24(17-21)37-15-14-19-6-2-1-3-7-19/h1-13,16-18H,14-15H2,(H,32,35)(H2,33,34,36,38)