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

Systemtic Name: N-(4-chloranyl-3-fluoranyl-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(4-chloro-3-fluoro-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(4-chloro-3-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(4-chloro-3-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(4-chloro-3-fluoro-phenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C16H14ClFN2S MolecularWeight: 320.812163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC(=C(C=C3)Cl)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C16H14ClFN2S/c17-14-6-5-13(9-15(14)18)19-16(21)20-8-7-11-3-1-2-4-12(11)10-20/h1-6,9H,7-8,10H2,(H,19,21)