N-[3,5-bis(fluoranyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(3,5-difluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(3,5-difluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(3,5-difluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(3,5-difluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C16H14F2N2S MolecularWeight: 304.357566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F2N2S/c17-13-7-14(18)9-15(8-13)19-16(21)20-6-5-11-3-1-2-4-12(11)10-20/h1-4,7-9H,5-6,10H2,(H,19,21)