6,7-diethoxy-N-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: 6,7-diethoxy-N-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 6,7-diethoxy-N-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 6,7-diethoxy-N-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 6,7-diethoxy-N-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 6,7-diethoxy-N-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H23FN2O2S MolecularWeight: 374.472223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=CC=C3F)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC=CC=C3F)OCC

InChI

InChI=1S/C20H23FN2O2S/c1-3-24-18-11-14-9-10-23(13-15(14)12-19(18)25-4-2)20(26)22-17-8-6-5-7-16(17)21/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,22,26)