N-(2,5-dimethylphenyl)-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C27H29FN2O3S MolecularWeight: 480.594163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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