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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[[4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-isobutoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-isobutoxybenzoyl)thiocarbamoylamino]benzamide Formula: C25H23ClFN3O3S MolecularWeight: 499.984823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C25H23ClFN3O3S/c1-15(2)14-33-20-9-6-16(7-10-20)23(31)30-25(34)29-18-5-3-4-17(12-18)24(32)28-19-8-11-22(27)21(26)13-19/h3-13,15H,14H2,1-2H3,(H,28,32)(H2,29,30,31,34)