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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-fluoro-4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H17FN2S MolecularWeight: 300.393683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN2S/c1-12-6-7-15(10-16(12)18)19-17(21)20-9-8-13-4-2-3-5-14(13)11-20/h2-7,10H,8-9,11H2,1H3,(H,19,21)