N-[2-(4-ethylsulfanyl-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-(4-ethylsulfanyl-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl]-4-fluoranyl-benzamide Openeye Name: N-[2-(4-ethylsulfanyl-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methyl-propyl]-4-fluoro-benzamide CAS Name: N-[2-[4-(ethylthio)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]-2-methylpropyl]-4-fluorobenzamide IUPAC Name: N-[2-(4-ethylsulfanyl-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl)-2-methylpropyl]-4-fluorobenzamide Traditional Name: N-[2-[4-(ethylthio)-6-nitro-1,2,3,4-tetrahydroquinolin-2-yl]-2-methyl-propyl]-4-fluoro-benzamide Formula: C22H26FN3O3S MolecularWeight: 431.523543

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1CC(NC2=C1C=C(C=C2)[N+](=O)[O-])C(C)(C)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCSC1CC(NC2=C1C=C(C=C2)[N+](=O)[O-])C(C)(C)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3O3S/c1-4-30-19-12-20(25-18-10-9-16(26(28)29)11-17(18)19)22(2,3)13-24-21(27)14-5-7-15(23)8-6-14/h5-11,19-20,25H,4,12-13H2,1-3H3,(H,24,27)