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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)F)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)F)OC)OC

InChI

InChI=1S/C26H27FN2O3S/c1-17-5-4-6-20(13-17)28-26(33)29-12-11-18-14-24(30-2)25(31-3)15-22(18)23(29)16-32-21-9-7-19(27)8-10-21/h4-10,13-15,23H,11-12,16H2,1-3H3,(H,28,33)