N-(1,3-benzodioxol-5-yl)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide Formula: C18H17FN2O2S MolecularWeight: 344.403183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C(=S)NC3=CC4=C(C=C3)OCO4)C=CC(=C2)F

Isomeric SMILES

CC1CCC2=C(N1C(=S)NC3=CC4=C(C=C3)OCO4)C=CC(=C2)F

InChI

InChI=1S/C18H17FN2O2S/c1-11-2-3-12-8-13(19)4-6-15(12)21(11)18(24)20-14-5-7-16-17(9-14)23-10-22-16/h4-9,11H,2-3,10H2,1H3,(H,20,24)