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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=C(C=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=C(C=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(11-14-26(25)31)32-28(36)21-7-4-8-22(17-21)33-29(38)34-27(35)20-9-12-24(13-10-20)37-16-15-19-5-2-1-3-6-19/h1-14,17-18H,15-16H2,(H,32,36)(H2,33,34,35,38)