2-[3-(butanoylamino)phenyl]sulfanyl-N-(3-chloranyl-4-fluoranyl-phenyl)butanamide

Systemtic Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(3-chloranyl-4-fluoranyl-phenyl)butanamide Openeye Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(3-chloro-4-fluoro-phenyl)butanamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(3-chloro-4-fluorophenyl)butanamide Traditional Name: 2-[(3-butyramidophenyl)thio]-N-(3-chloro-4-fluoro-phenyl)butyramide Formula: C20H22ClFN2O2S MolecularWeight: 408.917283

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C20H22ClFN2O2S/c1-3-6-19(25)23-13-7-5-8-15(11-13)27-18(4-2)20(26)24-14-9-10-17(22)16(21)12-14/h5,7-12,18H,3-4,6H2,1-2H3,(H,23,25)(H,24,26)