N-quinolin-3-yl-4-(2-sulfanylethanoylamino)butanamide

Systemtic Name: N-quinolin-3-yl-4-(2-sulfanylethanoylamino)butanamide Openeye Name: N-(3-quinolyl)-4-[(2-sulfanylacetyl)amino]butanamide CAS Name: 4-[(2-mercapto-1-oxoethyl)amino]-N-(3-quinolinyl)butanamide IUPAC Name: N-quinolin-3-yl-4-[(2-sulfanylacetyl)amino]butanamide Traditional Name: 4-[(2-mercaptoacetyl)amino]-N-(3-quinolyl)butyramide Formula: C15H17N3O2S MolecularWeight: 303.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S/c19-14(6-3-7-16-15(20)10-21)18-12-8-11-4-1-2-5-13(11)17-9-12/h1-2,4-5,8-9,21H,3,6-7,10H2,(H,16,20)(H,18,19)