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

Systemtic Name: N-(4-ethoxyphenyl)-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(4-ethoxyphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(4-ethoxyphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: 1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-p-phenetyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H29FN2O4S MolecularWeight: 496.593563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)F)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)F)OC)OC

InChI

InChI=1S/C27H29FN2O4S/c1-4-33-21-11-7-20(8-12-21)29-27(35)30-14-13-18-15-25(31-2)26(32-3)16-23(18)24(30)17-34-22-9-5-19(28)6-10-22/h5-12,15-16,24H,4,13-14,17H2,1-3H3,(H,29,35)