4-(pyridin-2-ylmethylamino)quinoline-3-carbothioamide

Systemtic Name: 4-(pyridin-2-ylmethylamino)quinoline-3-carbothioamide Openeye Name: 4-(2-pyridylmethylamino)quinoline-3-carbothioamide CAS Name: 4-(2-pyridinylmethylamino)-3-quinolinecarbothioamide IUPAC Name: 4-(pyridin-2-ylmethylamino)quinoline-3-carbothioamide Traditional Name: 4-(2-pyridylmethylamino)quinoline-3-carbothioamide Formula: C16H14N4S MolecularWeight: 294.37416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C=N2)C(=S)N)NCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C=N2)C(=S)N)NCC3=CC=CC=N3

InChI

InChI=1S/C16H14N4S/c17-16(21)13-10-19-14-7-2-1-6-12(14)15(13)20-9-11-5-3-4-8-18-11/h1-8,10H,9H2,(H2,17,21)(H,19,20)