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

Systemtic Name: N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(4-fluorobenzyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C19H21FN2O2S MolecularWeight: 360.445643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=S)NCC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=S)NCC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C19H21FN2O2S/c1-23-17-9-14-7-8-22(12-15(14)10-18(17)24-2)19(25)21-11-13-3-5-16(20)6-4-13/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,25)