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

Systemtic Name: (1S)-1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1S)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1S)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1S)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1S)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H23FN2O3S MolecularWeight: 390.471623

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

CNC(=S)N1CCC2=CC(=C(C=C2[C@H]1COC3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C20H23FN2O3S/c1-22-20(27)23-9-8-13-10-18(24-2)19(25-3)11-16(13)17(23)12-26-15-6-4-14(21)5-7-15/h4-7,10-11,17H,8-9,12H2,1-3H3,(H,22,27)/t17-/m1/s1