6-fluoranyl-N-(2-methoxy-4-nitro-phenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide

Systemtic Name: 6-fluoranyl-N-(2-methoxy-4-nitro-phenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide Openeye Name: 6-fluoro-N-(2-methoxy-4-nitro-phenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide CAS Name: 6-fluoro-N-(2-methoxy-4-nitrophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide IUPAC Name: 6-fluoro-N-(2-methoxy-4-nitrophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide Traditional Name: 6-fluoro-N-(2-methoxy-4-nitro-phenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide Formula: C18H18FN3O3S MolecularWeight: 375.417223

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C=CC(=C2)F

Isomeric SMILES

CC1CCC2=C(N1C(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C=CC(=C2)F

InChI

InChI=1S/C18H18FN3O3S/c1-11-3-4-12-9-13(19)5-8-16(12)21(11)18(26)20-15-7-6-14(22(23)24)10-17(15)25-2/h5-11H,3-4H2,1-2H3,(H,20,26)