N-(3-fluoranyl-4-methyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-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:

CC1=C(C=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCC3=CC(=C(C=C3C2)OC)OC)F

InChI

InChI=1S/C19H21FN2O2S/c1-12-4-5-15(10-16(12)20)21-19(25)22-7-6-13-8-17(23-2)18(24-3)9-14(13)11-22/h4-5,8-10H,6-7,11H2,1-3H3,(H,21,25)