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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[3-(butanoylamino)phenyl]sulfanyl-butanamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[3-(butanoylamino)phenyl]sulfanylbutanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(3-butyramidophenyl)thio]butyramide Formula: C20H22BrFN2O2S MolecularWeight: 453.368283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrFN2O2S/c1-3-6-19(25)23-14-7-5-8-15(12-14)27-18(4-2)20(26)24-17-10-9-13(21)11-16(17)22/h5,7-12,18H,3-4,6H2,1-2H3,(H,23,25)(H,24,26)