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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > (1s)-n-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1h-isoquinoline-2-carbothioamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > (1s)-n-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1h-isoquinoline-2-carbothioamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > (1s)-n-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1h-isoquinoline-2-carbothioamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > (1s)-n-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1h-isoquinoline-2-carbothioamide

Preferred term

(1s)-n-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1h-isoquinoline-2-carbothioamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C19H21FN2O2S

inchi

  • InChI=1S/C19H21FN2O2S/c1-12-16-11-18(24-3)17(23-2)10-13(16)8-9-22(12)19(25)21-15-6-4-14(20)5-7-15/h4-7,10-12H,8-9H2,1-3H3,(H,21,25)/t12-/m0/s1

inchikey

  • NXNWXRXLSFGZDX-LBPRGKRZSA-N

mass

  • 360.447

monoisotopicmass

  • 360.13078

smiles

  • C[C@H]1C2=CC(=C(C=C2CCN1C(=S)NC3=CC=C(C=C3)F)OC)OC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:103892

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