N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-4-(1-pyrrolidinylmethyl)benzamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-4-(pyrrolidinomethyl)benzamide Formula: C21H24ClFN2OS MolecularWeight: 406.944463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)C(=O)NCCSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)C(=O)NCCSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H24ClFN2OS/c22-19-4-3-5-20(23)18(19)15-27-13-10-24-21(26)17-8-6-16(7-9-17)14-25-11-1-2-12-25/h3-9H,1-2,10-15H2,(H,24,26)