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

Systemtic Name: 1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C25H24FN3O5S MolecularWeight: 497.538563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-])COC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-])COC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H24FN3O5S/c1-32-23-13-16-11-12-28(25(35)27-18-5-7-19(8-6-18)29(30)31)22(21(16)14-24(23)33-2)15-34-20-9-3-17(26)4-10-20/h3-10,13-14,22H,11-12,15H2,1-2H3,(H,27,35)