2-(3-acetamidophenyl)sulfanyl-N-(4-bromanyl-2-fluoranyl-phenyl)butanamide

Systemtic Name: 2-(3-acetamidophenyl)sulfanyl-N-(4-bromanyl-2-fluoranyl-phenyl)butanamide Openeye Name: 2-(3-acetamidophenyl)sulfanyl-N-(4-bromo-2-fluoro-phenyl)butanamide CAS Name: 2-[(3-acetamidophenyl)thio]-N-(4-bromo-2-fluorophenyl)butanamide IUPAC Name: 2-(3-acetamidophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)butanamide Traditional Name: 2-[(3-acetamidophenyl)thio]-N-(4-bromo-2-fluoro-phenyl)butyramide Formula: C18H18BrFN2O2S MolecularWeight: 425.315123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)Br)F)SC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C18H18BrFN2O2S/c1-3-17(18(24)22-16-8-7-12(19)9-15(16)20)25-14-6-4-5-13(10-14)21-11(2)23/h4-10,17H,3H2,1-2H3,(H,21,23)(H,22,24)