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

Systemtic Name: N-(3-bromophenyl)-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-bromophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-bromophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-bromophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-bromophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C25H24BrFN2O3S MolecularWeight: 531.437063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC(=CC=C3)Br)COC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC(=CC=C3)Br)COC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H24BrFN2O3S/c1-30-23-12-16-10-11-29(25(33)28-19-5-3-4-17(26)13-19)22(21(16)14-24(23)31-2)15-32-20-8-6-18(27)7-9-20/h3-9,12-14,22H,10-11,15H2,1-2H3,(H,28,33)