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

Systemtic Name: N-(2,3-dimethylphenyl)-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2,3-dimethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2,3-dimethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2,3-dimethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2,3-dimethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H29FN2O3S MolecularWeight: 480.594163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29FN2O3S/c1-17-6-5-7-23(18(17)2)29-27(34)30-13-12-19-14-25(31-3)26(32-4)15-22(19)24(30)16-33-21-10-8-20(28)9-11-21/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,29,34)