N-quinolin-3-yl-6-(2-sulfanylethanoylamino)hexanamide

Systemtic Name: N-quinolin-3-yl-6-(2-sulfanylethanoylamino)hexanamide Openeye Name: N-(3-quinolyl)-6-[(2-sulfanylacetyl)amino]hexanamide CAS Name: 6-[(2-mercapto-1-oxoethyl)amino]-N-(3-quinolinyl)hexanamide IUPAC Name: N-quinolin-3-yl-6-[(2-sulfanylacetyl)amino]hexanamide Traditional Name: 6-[(2-mercaptoacetyl)amino]-N-(3-quinolyl)hexanamide Formula: C17H21N3O2S MolecularWeight: 331.43254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)NC(=O)CCCCCNC(=O)CS

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)NC(=O)CCCCCNC(=O)CS

InChI

InChI=1S/C17H21N3O2S/c21-16(8-2-1-5-9-18-17(22)12-23)20-14-10-13-6-3-4-7-15(13)19-11-14/h3-4,6-7,10-11,23H,1-2,5,8-9,12H2,(H,18,22)(H,20,21)