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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H18ClFN2O2S MolecularWeight: 380.864123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=S)NC3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C18H18ClFN2O2S/c1-23-16-7-11-5-6-22(10-12(11)8-17(16)24-2)18(25)21-13-3-4-15(20)14(19)9-13/h3-4,7-9H,5-6,10H2,1-2H3,(H,21,25)