N-(3-chloranyl-4-fluoranyl-phenyl)-3-(3-cyclohexylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(3-cyclohexylpropanoylcarbamothioylamino)benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-(3-cyclohexylpropanoylcarbamothioylamino)benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-(3-cyclohexylpropanoylcarbamothioylamino)benzamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-(3-cyclohexylpropanoylthiocarbamoylamino)benzamide Formula: C23H25ClFN3O2S MolecularWeight: 461.979903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C23H25ClFN3O2S/c24-19-14-18(10-11-20(19)25)26-22(30)16-7-4-8-17(13-16)27-23(31)28-21(29)12-9-15-5-2-1-3-6-15/h4,7-8,10-11,13-15H,1-3,5-6,9,12H2,(H,26,30)(H2,27,28,29,31)