N-[(E)-1-pyridin-2-ylethylideneamino]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[(E)-1-pyridin-2-ylethylideneamino]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[(E)-1-(2-pyridyl)ethylideneamino]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[(E)-1-(2-pyridinyl)ethylideneamino]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[(E)-1-pyridin-2-ylethylideneamino]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[(E)-1-(2-pyridyl)ethylideneamino]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C17H18N4S MolecularWeight: 310.41662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCC2=CC=CC=C2C1)C3=CC=CC=N3

Isomeric SMILES

C/C(=N\NC(=S)N1CCC2=CC=CC=C2C1)/C3=CC=CC=N3

InChI

InChI=1S/C17H18N4S/c1-13(16-8-4-5-10-18-16)19-20-17(22)21-11-9-14-6-2-3-7-15(14)12-21/h2-8,10H,9,11-12H2,1H3,(H,20,22)/b19-13+