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

Systemtic Name: 1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-benzyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-benzyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-benzyl-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C26H27FN2O3S MolecularWeight: 466.567583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCC3=CC=CC=C3)COC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NCC3=CC=CC=C3)COC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C26H27FN2O3S/c1-30-24-14-19-12-13-29(26(33)28-16-18-6-4-3-5-7-18)23(22(19)15-25(24)31-2)17-32-21-10-8-20(27)9-11-21/h3-11,14-15,23H,12-13,16-17H2,1-2H3,(H,28,33)