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

Systemtic Name: 1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C26H27FN2O4S MolecularWeight: 482.566983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)F)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)F)OC)OC

InChI

InChI=1S/C26H27FN2O4S/c1-30-21-6-4-5-19(14-21)28-26(34)29-12-11-17-13-24(31-2)25(32-3)15-22(17)23(29)16-33-20-9-7-18(27)8-10-20/h4-10,13-15,23H,11-12,16H2,1-3H3,(H,28,34)