N-[(2-methylquinolin-5-yl)carbamothioyl]hexanamide

Systemtic Name: N-[(2-methylquinolin-5-yl)carbamothioyl]hexanamide Openeye Name: N-[(2-methyl-5-quinolyl)carbamothioyl]hexanamide CAS Name: N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(2-methylquinolin-5-yl)carbamothioyl]hexanamide Traditional Name: N-[(2-methyl-5-quinolyl)thiocarbamoyl]hexanamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=CC2=C1C=CC(=N2)C

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC2=C1C=CC(=N2)C

InChI

InChI=1S/C17H21N3OS/c1-3-4-5-9-16(21)20-17(22)19-15-8-6-7-14-13(15)11-10-12(2)18-14/h6-8,10-11H,3-5,9H2,1-2H3,(H2,19,20,21,22)