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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[[3-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(3-isopentyloxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[[3-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[[3-(3-methylbutoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[(3-isoamoxybenzoyl)thiocarbamoylamino]benzamide Formula: C26H25ClFN3O3S MolecularWeight: 514.011403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C26H25ClFN3O3S/c1-16(2)11-12-34-21-8-4-6-18(14-21)25(33)31-26(35)30-19-7-3-5-17(13-19)24(32)29-20-9-10-23(28)22(27)15-20/h3-10,13-16H,11-12H2,1-2H3,(H,29,32)(H2,30,31,33,35)