N-ethyl-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-ethyl-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-ethyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-ethyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-ethyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-ethyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

CCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C21H25FN2O3S/c1-4-23-21(28)24-10-9-14-11-19(25-2)20(26-3)12-17(14)18(24)13-27-16-7-5-15(22)6-8-16/h5-8,11-12,18H,4,9-10,13H2,1-3H3,(H,23,28)