N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-nitrophenyl)amino]butanamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-nitrophenyl)amino]butanamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(4-nitroanilino)butanamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-(4-nitroanilino)butanamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(4-nitroanilino)butanamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-(4-nitroanilino)butyramide Formula: C19H22FN3O3S MolecularWeight: 391.459683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C19H22FN3O3S/c20-18-5-2-1-4-15(18)14-27-13-12-22-19(24)6-3-11-21-16-7-9-17(10-8-16)23(25)26/h1-2,4-5,7-10,21H,3,6,11-14H2,(H,22,24)