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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C28H31FN2O3S MolecularWeight: 494.620743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)F)OC)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)F)OC)OC)C

InChI

InChI=1S/C28H31FN2O3S/c1-5-19-8-6-7-18(2)27(19)30-28(35)31-14-13-20-15-25(32-3)26(33-4)16-23(20)24(31)17-34-22-11-9-21(29)10-12-22/h6-12,15-16,24H,5,13-14,17H2,1-4H3,(H,30,35)