N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide Traditional Name: 6-fluoro-N-homoveratryl-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide Formula: C21H25FN2O2S MolecularWeight: 388.498803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C(=S)NCCC3=CC(=C(C=C3)OC)OC)C=CC(=C2)F

Isomeric SMILES

CC1CCC2=C(N1C(=S)NCCC3=CC(=C(C=C3)OC)OC)C=CC(=C2)F

InChI

InChI=1S/C21H25FN2O2S/c1-14-4-6-16-13-17(22)7-8-18(16)24(14)21(27)23-11-10-15-5-9-19(25-2)20(12-15)26-3/h5,7-9,12-14H,4,6,10-11H2,1-3H3,(H,23,27)