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

Systemtic Name: N-(2-chlorophenyl)-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2-chlorophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2-chlorophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2-chlorophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-chlorophenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C25H24ClFN2O3S MolecularWeight: 486.986063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC=CC=C3Cl)COC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC=CC=C3Cl)COC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H24ClFN2O3S/c1-30-23-13-16-11-12-29(25(33)28-21-6-4-3-5-20(21)26)22(19(16)14-24(23)31-2)15-32-18-9-7-17(27)8-10-18/h3-10,13-14,22H,11-12,15H2,1-2H3,(H,28,33)