N-(2-methylheptan-2-yl)quinoline-2-carbothioamide

Systemtic Name: N-(2-methylheptan-2-yl)quinoline-2-carbothioamide Openeye Name: N-(1,1-dimethylhexyl)quinoline-2-carbothioamide CAS Name: N-(2-methylheptan-2-yl)-2-quinolinecarbothioamide IUPAC Name: N-(2-methylheptan-2-yl)quinoline-2-carbothioamide Traditional Name: N-(1,1-dimethylhexyl)thioquinaldamide Formula: C18H24N2S MolecularWeight: 300.46156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)NC(=S)C1=NC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCC(C)(C)NC(=S)C1=NC2=CC=CC=C2C=C1

InChI

InChI=1S/C18H24N2S/c1-4-5-8-13-18(2,3)20-17(21)16-12-11-14-9-6-7-10-15(14)19-16/h6-7,9-12H,4-5,8,13H2,1-3H3,(H,20,21)