N-(5-azanyl-2-fluoranyl-phenyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(5-azanyl-2-fluoranyl-phenyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: N-(5-amino-2-fluoro-phenyl)-3-benzylsulfanyl-propanamide CAS Name: N-(5-amino-2-fluorophenyl)-3-(phenylmethylthio)propanamide IUPAC Name: N-(5-amino-2-fluorophenyl)-3-benzylsulfanylpropanamide Traditional Name: N-(5-amino-2-fluoro-phenyl)-3-(benzylthio)propionamide Formula: C16H17FN2OS MolecularWeight: 304.382383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(=O)NC2=C(C=CC(=C2)N)F

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)NC2=C(C=CC(=C2)N)F

InChI

InChI=1S/C16H17FN2OS/c17-14-7-6-13(18)10-15(14)19-16(20)8-9-21-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11,18H2,(H,19,20)