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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)NC(=O)CCCCCNC(=O)CS)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2)NC(=O)CCCCCNC(=O)CS)N=C1

InChI

InChI=1S/C17H21N3O2S/c21-16(6-2-1-3-9-19-17(22)12-23)20-14-7-8-15-13(11-14)5-4-10-18-15/h4-5,7-8,10-11,23H,1-3,6,9,12H2,(H,19,22)(H,20,21)