2-[(4-fluorophenyl)methylsulfanyl]-N-[3-[(4-nitrophenyl)amino]propyl]benzamide

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-[3-[(4-nitrophenyl)amino]propyl]benzamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(4-nitroanilino)propyl]benzamide CAS Name: 2-[(4-fluorophenyl)methylthio]-N-[3-(4-nitroanilino)propyl]benzamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-[3-(4-nitroanilino)propyl]benzamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-[3-(4-nitroanilino)propyl]benzamide Formula: C23H22FN3O3S MolecularWeight: 439.502483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCNC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCNC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H22FN3O3S/c24-18-8-6-17(7-9-18)16-31-22-5-2-1-4-21(22)23(28)26-15-3-14-25-19-10-12-20(13-11-19)27(29)30/h1-2,4-13,25H,3,14-16H2,(H,26,28)